#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_camnp0
_shelx_title '  CaMnSi2O6  data collection i n DAC by Xcaliber-I at VT'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      204.40
_exptl_crystal_F_000       484.00
_reflns_d_resolution_high  0.7095
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a     9.9227
_cell_length_b     9.1416
_cell_length_c     5.2745
_cell_angle_alpha  90.000
_cell_angle_beta  105.087
_cell_angle_gamma  90.000
 
_shelx_F_squared_multiplier     1.000
 
loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_F_squared_calc
 _refln_F_squared_meas
 _refln_F_squared_sigma
 _refln_observed_status
   1   1   0     1274.67     1283.79    119.74 o
   3   1   0    13329.38    12747.81    497.78 o
   5   1   0     1307.83     1352.10     59.88 o
   2   2   0     3489.81     3597.85    193.32 o
   4   2   0       61.06       68.99      9.30 o
   6   2   0       33.50       39.15      5.98 o
   3   3   0     3076.18     3254.84    112.24 o
   5   3   0     1044.72      941.48    101.53 o
   7   3   0       92.67       80.33     13.09 o
   2   4   0       88.03       93.55     21.24 o
   4   4   0     6831.82     6896.46    478.44 o
   6   4   0       68.49       75.53     12.27 o
  10   4   0     3211.59     3028.42    143.46 o
   3   5   0     8698.56     8470.50    776.77 o
   5   5   0      306.75      317.63     16.97 o
   7   5   0    21445.84    21119.39   1537.29 o
   9   5   0      979.42      996.40     87.78 o
  11   5   0     2769.69     2427.77    192.67 o
   4   6   0     1436.27     1416.54    158.46 o
   6   6   0      279.74      316.13     41.68 o
   8   6   0     1125.88     1053.08     66.79 o
  10   6   0     2482.36     2326.53    255.07 o
   5   7   0     1349.36     1151.01     85.27 o
   7   7   0     1113.24     1170.99    152.67 o
   9   7   0      446.65      405.77     42.42 o
  10   8   0      724.63      753.64     74.90 o
  -5   1   1      943.22      833.65     80.51 o
  -3   1   1     4080.22     4146.33    278.82 o
  -1   1   1      142.59      103.58      6.79 o
   1   1   1       94.71       75.42      3.88 o
   3   1   1     2794.44     3050.44    300.38 o
   5   1   1      393.46      318.80     20.65 o
  -8   2   1     3446.99     3011.16    380.37 o
  -6   2   1     5242.01     4738.02    468.34 o
  -4   2   1    10441.89    10408.81    601.58 o
  -2   2   1    35924.14    34740.72   1961.60 o
   0   2   1       66.15       83.21      4.88 o
   2   2   1    23477.92    23153.94    422.46 o
   4   2   1     4957.68     5010.24    124.29 o
   6   2   1     8743.57     8309.12    220.79 o
  -9   3   1     9145.26     8171.15    752.82 o
  -7   3   1      498.10      469.38     40.03 o
  -5   3   1    20115.82    18945.29   1309.00 o
  -3   3   1    16992.39    17324.89    475.63 o
   3   3   1     4996.86     5383.87    164.61 o
   5   3   1    34526.37    32501.29   2698.38 o
 -10   4   1      456.81      411.83     51.96 o
  -6   4   1       30.63       47.98     11.13 o
  -2   4   1     1354.15     1287.01     71.43 o
   2   4   1     2312.35     2302.97    340.14 o
   4   4   1      651.51      751.87     56.22 o
   6   4   1      190.11      159.21     25.47 o
   8   4   1      113.26      120.74     18.19 o
  -9   5   1      211.10      191.16     14.35 o
  -7   5   1      100.26      116.52     15.24 o
  -5   5   1      123.19      131.60     11.29 o
  -3   5   1      369.50      388.59     30.33 o
   3   5   1      268.87      275.68     15.13 o
   5   5   1      404.92      431.29     32.38 o
 -10   6   1      349.79      258.04     16.66 o
  -6   6   1      264.14      203.30     35.98 o
  -4   6   1      761.88      856.16     64.48 o
   4   6   1      178.12      174.34     26.27 o
   8   6   1      217.09      202.14     15.89 o
  10   6   1      299.78      219.18     41.81 o
 -11   7   1      916.29      845.69     63.17 o
  -9   7   1     2235.37     2179.24    276.56 o
  -5   7   1    11650.83    12369.89    633.41 o
   5   7   1     5064.91     4967.85    429.47 o
   7   7   1      567.28      606.39     71.98 o
   9   7   1     3882.25     3645.40    156.70 o
 -10   8   1      453.28      373.66     29.03 o
  -8   8   1     3149.29     2863.64    210.24 o
  -6   8   1     1404.72     1459.97    158.47 o
   6   8   1     5232.79     5047.42    388.29 o
   8   8   1      890.09      807.25    117.89 o
  -9   9   1      281.34      348.78     62.27 o
   7   9   1      861.34      818.51     63.20 o
   9   9   1      337.44      335.10     19.52 o
  -4   0   2    23385.31    21881.32   1030.78 o
   0   0   2    41778.95    43354.79   2074.54 o
   2   0   2    16843.62    18457.66   1204.61 o
  -7   1   2    14056.67    11952.07   1908.51 o
  -5   1   2       64.44       70.19     11.01 o
  -3   1   2      473.26      345.61     41.74 o
  -1   1   2     1169.14     1207.79     41.59 o
   1   1   2     8140.17     8400.16    318.73 o
   3   1   2     2365.14     2014.55    320.03 o
   5   1   2      579.85      556.21     49.20 o
  -8   2   2      410.50      378.91     20.75 o
  -6   2   2     2384.94     2160.99     79.54 o
  -4   2   2      741.46      768.81    116.68 o
  -2   2   2       48.76       40.39      9.90 o
   2   2   2     1774.38     1820.38     69.35 o
   4   2   2     1697.98     1506.70     63.07 o
   6   2   2      843.52      865.45     49.90 o
  -9   3   2       76.80       70.73     15.56 o
  -7   3   2      677.96      658.45     67.45 o
  -5   3   2      950.13      928.46     48.55 o
  -3   3   2      158.30      200.06     38.96 o
   1   3   2     1733.86     1910.48    170.26 o
   3   3   2      140.54      122.19      7.84 o
   5   3   2      677.48      740.58     63.59 o
   7   3   2      541.29      452.83     89.57 o
 -10   4   2      973.78      969.80    126.70 o
  -8   4   2      273.06      293.83     31.72 o
  -6   4   2     1161.90     1167.00     55.00 o
  -4   4   2      619.74      651.84     47.31 o
   2   4   2      423.52      452.45     28.64 o
   4   4   2     2126.84     2037.05     84.34 o
   6   4   2      463.92      439.95     24.89 o
 -11   5   2     3039.51     2541.06    187.98 o
  -9   5   2     1111.65     1020.88     83.68 o
  -7   5   2    15241.07    14571.01    377.01 o
  -5   5   2     1666.49     1651.91     87.64 o
  -3   5   2    16232.21    17139.94   1307.59 o
   1   5   2    11067.74    11832.36    380.70 o
   3   5   2    19417.64    19287.51   1513.23 o
   5   5   2      150.08      310.07     29.15 o
   7   5   2     6933.59     6706.56    202.84 o
   9   5   2     1465.74     1466.32     90.82 o
 -12   6   2      112.67      133.43     14.91 o
 -10   6   2      446.67      391.50     27.19 o
  -8   6   2      290.04      296.19     17.04 o
  -6   6   2     5100.38     5387.19    164.11 o
  -4   6   2      848.90      976.54     70.01 o
   2   6   2      185.39      198.18     49.71 o
   4   6   2     1227.84     1083.10    303.12 o
   6   6   2        8.45       18.25     13.72 o
   8   6   2      838.90      823.07     44.98 o
  10   6   2     1584.76     1556.11    224.78 o
  -7   7   2      358.27      445.73     63.48 o
   5   7   2      870.42      911.19    234.35 o
   9   7   2      172.37      190.19     24.84 o
 -10   8   2      351.17      374.14     87.68 o
  -8   8   2      259.87      239.68     16.31 o
   6   8   2      661.57      708.52     93.20 o
   7   9   2      561.44      670.93    119.54 o
  -7   1   3     1200.28      984.81    103.14 o
  -5   1   3     1577.53     1496.44     61.90 o
  -3   1   3     1955.06     1990.22     80.78 o
  -1   1   3        8.74       32.60      8.06 o
   1   1   3       90.10       79.30     11.39 o
   3   1   3      385.67      467.99     28.19 o
  -8   2   3     7393.76     7053.34    240.37 o
  -6   2   3     1357.29     1252.77    128.70 o
  -4   2   3     2374.28     2369.60    161.01 o
  -2   2   3    26250.83    27299.52    794.91 o
   0   2   3      900.16      968.53     65.51 o
   2   2   3     8762.26     8868.41    194.57 o
   4   2   3      612.66      637.59     40.67 o
   6   2   3     7142.41     7120.02    203.37 o
  -9   3   3    10440.69     9676.83    245.97 o
  -5   3   3     9545.60     9595.94    888.04 o
  -3   3   3     3469.62     3442.03    108.39 o
  -1   3   3    20020.55    20324.69    783.78 o
   1   3   3     2678.40     2851.85     85.43 o
   3   3   3      277.09      306.99     66.75 o
   5   3   3    12523.04    12703.03    260.17 o
   7   3   3      702.79      790.52     57.43 o
 -10   4   3      292.67      246.05     20.44 o
  -8   4   3      605.98      658.98     37.24 o
  -6   4   3      363.56      316.10     15.02 o
  -4   4   3      479.67      454.20     31.79 o
   0   4   3     1369.24     1368.47     72.86 o
   2   4   3      353.88      332.40     22.10 o
   4   4   3      676.61      691.15     94.97 o
   6   4   3      530.08      513.68     57.42 o
  -9   5   3       14.03       36.86     15.37 o
  -5   5   3     1826.87     1770.01     83.45 o
   1   5   3      845.62      922.05     54.10 o
   3   5   3       57.61       30.72     12.95 o
   9   5   3      554.08      516.93    112.97 o
 -12   6   3       95.32      158.61     25.75 o
 -10   6   3      223.70      219.38     15.88 o
  -8   6   3      164.86      111.33     11.40 o
   2   6   3      155.40      156.38     18.87 o
   4   6   3      826.73      881.74     59.51 o
   6   6   3       54.24       62.11     18.80 o
 -11   7   3      660.93      570.53     66.71 o
  -9   7   3     3630.38     3633.93    188.98 o
  -7   7   3      183.91      176.98     12.67 o
   3   7   3      548.36      675.09     75.50 o
   5   7   3     4641.19     4678.41    154.51 o
   7   7   3      185.66      190.50     24.19 o
 -10   8   3      637.05      564.51     29.76 o
  -8   8   3     2888.44     2664.10    313.31 o
   6   8   3     3660.23     3839.12    153.12 o
  -6   0   4    16337.87    15408.49    317.26 o
  -4   0   4    12330.16    12215.46    330.28 o
  -2   0   4       47.45      104.15     19.37 o
   0   0   4    17709.37    18530.34    359.40 o
   2   0   4     2509.96     2723.05    361.17 o
  -7   1   4     2327.70     2284.69    159.74 o
  -3   1   4     8148.47     8062.31    176.45 o
  -1   1   4      644.84      655.46     42.15 o
   1   1   4      393.44      390.37     36.14 o
   3   1   4     5259.12     5043.61    385.12 o
  -8   2   4       33.75       62.79     18.13 o
  -4   2   4      780.94      781.14     49.78 o
  -2   2   4      435.54      466.66     22.90 o
   0   2   4     1146.05      949.91     56.68 o
   2   2   4     2233.58     2582.00    146.40 o
  -9   3   4      613.33      548.68     74.96 o
  -7   3   4       59.61       80.77     15.75 o
  -5   3   4      496.88      468.18     37.78 o
  -3   3   4      745.30      704.65     73.32 o
  -1   3   4      101.12      112.71      9.57 o
   1   3   4       41.13       68.53     12.89 o
   3   3   4      614.31      678.64     71.09 o
   5   3   4      216.87      282.86     13.87 o
 -10   4   4     1936.92     1932.75    268.57 o
  -6   4   4      162.97      170.65     27.68 o
  -4   4   4     1717.65     1709.02     75.02 o
   0   4   4     1214.06     1236.15     99.28 o
   2   4   4      145.99      202.31     21.47 o
   4   4   4     3001.34     3021.32    148.98 o
 -11   5   4     2131.38     1770.03    111.58 o
  -9   5   4      122.85       60.56     13.10 o
  -7   5   4    12069.49    11805.99    243.88 o
  -5   5   4     1751.50     1783.96     81.98 o
   1   5   4     6024.59     6112.06    149.48 o
   3   5   4     6678.66     7037.56    282.63 o
   5   5   4      754.36      833.08     98.72 o
   7   5   4     5255.47     5719.00    257.76 o
 -10   6   4     1795.81     1722.20    172.78 o
  -8   6   4      311.27      358.62     21.42 o
  -6   6   4     1680.34     1747.85     96.54 o
   4   6   4     4678.38     4963.54    152.79 o
   6   6   4      256.18      260.60     19.11 o
  -9   7   4      527.97      491.81     26.93 o
  -7   7   4      752.91      847.91     59.44 o
   5   7   4      219.44      268.47     19.24 o
  -7   1   5      818.23      737.62     51.44 o
  -5   1   5      527.67      580.08     45.75 o
  -3   1   5      650.66      684.08     44.11 o
   1   1   5       36.96       39.10     17.35 o
   3   1   5       26.08       70.65     18.82 o
  -8   2   5     6058.12     5965.54    583.37 o
  -6   2   5     1395.90     1380.86     74.90 o
  -4   2   5      886.65      848.13     64.46 o
  -2   2   5     6485.28     6477.13    697.54 o
   0   2   5      870.92     1069.67    111.61 o
   2   2   5     7335.31     7833.15    288.00 o
   4   2   5        5.34        9.32     14.86 o
  -9   3   5     7165.56     6631.19    192.19 o
  -7   3   5      783.14      702.42     99.12 o
  -5   3   5     4104.15     4209.84    144.85 o
  -1   3   5    11965.74    13490.68    290.10 o
   1   3   5     2461.54     2593.65    110.70 o
   3   3   5      132.70      187.33     37.50 o
   5   3   5     3897.27     4096.00    440.41 o
 -10   4   5      351.36      296.69     21.04 o
  -8   4   5      354.70      449.33     75.26 o
  -6   4   5       36.86       45.53     17.08 o
  -4   4   5      117.00      145.33     18.19 o
  -2   4   5      241.45      226.45     14.00 o
   0   4   5      383.59      448.94     20.64 o
   2   4   5     1192.38     1093.28    175.11 o
   4   4   5     1052.36     1037.49     82.47 o
   6   4   5       57.26       30.96     24.10 o
  -7   5   5       52.70       89.51     11.72 o
  -5   5   5      223.37      233.19     15.75 o
   3   5   5       62.79       61.81     22.20 o
   5   5   5      153.73      176.06     25.19 o
 -10   6   5      186.18      130.58     26.15 o
  -8   6   5       47.54       89.09     26.65 o
  -6   6   5      276.97      312.75     35.31 o
   4   6   5      172.11      172.50     24.94 o
  -9   7   5     1666.85     1474.14    195.53 o
   3   7   5      899.91     1098.32    126.88 o
  -6   0   6     2440.47     2375.92    111.33 o
  -4   0   6     9434.62     9936.77    217.04 o
  -2   0   6     1823.66     2038.99    323.87 o
   0   0   6     2748.95     3096.91    123.71 o
  -7   1   6     2156.33     2227.87    147.61 o
  -3   1   6     2228.76     2086.74    129.78 o
  -1   1   6       13.11       33.32     16.30 o
   1   1   6      494.24      505.09     32.64 o
  -8   2   6      227.46      184.73     16.78 o
  -4   2   6        1.00        5.80     15.82 o
  -2   2   6      131.58      162.14     31.51 o
   2   2   6      408.54      463.27    109.41 o
  -7   3   6      285.52      274.75     35.89 o
  -5   3   6      261.24      282.69     17.88 o
  -1   3   6      476.16      536.65     30.57 o
   1   3   6      266.12      303.95     25.64 o
   3   3   6        0.07        4.44     17.94 o
  -6   4   6      921.67      957.83     66.55 o
   0   4   6     2207.28     2269.18    113.12 o
   2   4   6      280.67      300.49     32.92 o
  -7   5   6     2758.79     2862.62    131.08 o
   1   5   6     1426.90     1636.12    177.79 o
   3   5   6     3839.74     4174.07    181.30 o
  -7   1   7      375.67      386.51     48.83 o
  -5   1   7      224.92      255.60     30.82 o
  -3   1   7      285.45      337.36     23.87 o
  -6   2   7      947.99      896.90     80.92 o
  -4   2   7      683.15      792.86     54.89 o
  -2   2   7     1954.60     2087.24    404.11 o
   0   2   7      303.10      350.82     19.66 o
  -5   3   7     4815.63     5299.26    491.35 o
  -3   3   7      125.03      112.88     30.71 o
  -1   3   7     2914.17     3246.33    343.25 o