#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_caznp0
_shelx_title '  CaZnSi2O6  data collection i n DAC by Xcaliber-I at VT'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      205.44
_exptl_crystal_F_000       504.00
_reflns_d_resolution_high  0.7143
 
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     9.8055
_cell_length_b     8.9778
_cell_length_c     5.2499
_cell_angle_alpha  90.000
_cell_angle_beta  105.761
_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
   2   0   0     5332.27     5621.38    120.93 o
   4   0   0     6353.26     5472.28    180.03 o
   6   0   0    18495.93    19050.10   1373.36 o
   8   0   0    15108.14    14888.10    512.10 o
  10   0   0     7173.27     7226.51    260.90 o
   1   1   0     3189.14     3374.34    100.02 o
   3   1   0    17138.13    17491.00    722.39 o
   5   1   0      466.92      663.34    111.49 o
   7   1   0     6063.63     6329.09    184.33 o
   9   1   0      608.29      669.69    105.09 o
  11   1   0     2757.05     2946.33    185.52 o
  13   1   0       22.99      161.71     75.30 o
   0   2   0     2257.35     2078.08    191.54 o
   2   2   0     2087.07     2231.31     98.36 o
   6   2   0       42.31       78.45     32.40 o
   8   2   0       92.05       97.26     46.95 o
  10   2   0       50.34       96.48     58.17 o
  12   2   0      144.69      266.04     78.60 o
   3   3   0     2815.48     3059.67    116.82 o
   5   3   0     1003.78      995.91     74.51 o
   7   3   0      181.80      241.62     49.64 o
   9   3   0      710.14      828.89     55.83 o
  11   3   0      202.32      116.57     66.44 o
   0   4   0     2295.13     1959.35     79.82 o
   2   4   0      561.62      696.51     96.90 o
   4   4   0    10159.76    10472.12    481.42 o
   6   4   0       28.27       81.91     41.51 o
   8   4   0      188.21      245.60     55.50 o
  10   4   0     4510.74     4263.64    232.63 o
   1   5   0    23774.13    24278.75    740.15 o
   3   5   0    13422.12    13442.87    376.63 o
   5   5   0     1115.57     1119.43     60.35 o
   7   5   0    24246.94    24911.13    935.74 o
   9   5   0     1751.58     1682.05    117.39 o
  11   5   0     4788.16     4518.31    348.90 o
   0   6   0    21556.02    20843.93    698.41 o
   2   6   0       80.08       69.32     53.76 o
   4   6   0     2701.72     2589.34    233.10 o
   6   6   0      617.07      751.00     91.28 o
   8   6   0     2123.19     2226.68    277.10 o
  10   6   0     3174.56     3262.47    420.45 o
   1   7   0      353.17      355.81     34.49 o
   5   7   0     1068.40      875.18     95.78 o
   7   7   0     1762.28     1845.79    105.66 o
   2   8   0      778.67      817.54     62.81 o
   4   8   0     1844.72     1841.03    108.39 o
  10   8   0     1048.27     1122.15     76.21 o
   1   9   0      189.18      193.47     48.24 o
   3   9   0     1461.82     1416.47     87.88 o
   7   9   0      752.65      884.78    145.76 o
   0  10   0    11485.54    11034.72    423.98 o
   2  10   0     1338.48     1389.33    159.32 o
   4  10   0     6532.87     7116.32    393.77 o
   6  10   0     2072.72     2238.01    145.69 o
   8  10   0     2065.13     2172.98    135.82 o
   1  11   0     1028.08     1083.69     71.79 o
   3  11   0     2121.19     2475.69    386.38 o
 -13   1   1      138.13       32.07     99.29 o
 -11   1   1      267.24      251.19     44.50 o
  -9   1   1      144.09      183.36     58.18 o
  -7   1   1      280.61      433.74     72.41 o
  -5   1   1     1947.97     1908.68    100.96 o
  -3   1   1     3050.55     3351.34    105.35 o
   1   1   1      298.24      291.41     16.72 o
   3   1   1     2141.49     2339.84    146.54 o
   5   1   1      836.64      862.01     55.09 o
   9   1   1      458.59      361.85     47.77 o
  11   1   1      765.06      660.38     74.83 o
 -12   2   1     8935.66     9234.12    758.49 o
 -10   2   1     1110.19      958.53     57.62 o
  -8   2   1     5181.91     5088.19    263.02 o
  -6   2   1     8703.80     8387.29    237.82 o
  -4   2   1    14222.85    14417.83    375.23 o
  -2   2   1    42205.32    43863.04   1144.61 o
   0   2   1      371.20      319.76     31.52 o
   2   2   1    29414.53    28234.03    900.12 o
   4   2   1     5748.08     5985.87    291.29 o
   6   2   1    14059.68    14292.88    383.41 o
   8   2   1     4788.06     4822.37    305.40 o
  10   2   1      568.93      487.09     73.68 o
  12   2   1     4703.00     4711.34    273.01 o
 -13   3   1     2059.21     2171.71    118.91 o
 -11   3   1     2963.20     2775.58    183.42 o
  -9   3   1    11881.02    11502.09    387.82 o
  -5   3   1    25764.48    25925.83    637.32 o
  -3   3   1    22367.28    23862.38    765.02 o
  -1   3   1    22903.68    21719.80    829.65 o
   1   3   1     1399.17     1099.92     61.57 o
   3   3   1     8436.85     8903.37    294.27 o
   5   3   1    38887.73    38296.48   1039.18 o
   7   3   1      231.17      265.94     37.26 o
   9   3   1     5850.22     6115.53    239.12 o
  11   3   1     1177.37     1221.94    139.90 o
 -12   4   1     1799.39     2266.39    127.84 o
 -10   4   1      228.00      300.00     62.35 o
  -6   4   1      250.90      282.46     94.25 o
  -4   4   1      366.57      299.35     34.15 o
  -2   4   1     2851.41     2803.51    123.01 o
   0   4   1     3506.49     3496.40    386.67 o
   2   4   1     3112.83     3490.70    445.78 o
   4   4   1      210.37      213.86     26.63 o
   6   4   1     1080.82     1025.14     57.74 o
   8   4   1      186.09      277.57     73.51 o
  10   4   1      365.65      396.46     52.67 o
  -9   5   1      199.23      170.73     59.17 o
  -7   5   1      173.22      219.32     49.87 o
  -5   5   1      302.07      302.24     51.48 o
  -3   5   1      102.41      145.50     32.91 o
  -1   5   1     1560.14     1480.22    149.44 o
   1   5   1      331.01      343.95     50.34 o
   3   5   1      173.46      205.34     42.43 o
   5   5   1      677.58      679.23     47.69 o
  -6   6   1      203.85      127.61     33.39 o
  -4   6   1      504.91      563.68     40.90 o
  -2   6   1      642.60      727.41     39.72 o
   0   6   1     1052.40     1113.86     88.81 o
   4   6   1      118.67      193.05     55.66 o
   8   6   1      210.20      203.04     62.87 o
  10   6   1      222.10      290.68     79.19 o
 -11   7   1     1075.14      860.41     92.30 o
  -9   7   1     2858.17     2922.50    190.45 o
  -7   7   1      572.83      615.83     79.25 o
  -5   7   1    14949.88    14393.94    353.12 o
  -3   7   1      866.34      892.87     46.58 o
  -1   7   1     6423.81     6097.74    232.39 o
   1   7   1     8930.04     8323.57    262.46 o
   3   7   1     1652.34     1807.12    165.82 o
   5   7   1     6274.18     5993.77    544.59 o
   7   7   1     1381.04     1405.24     77.96 o
   9   7   1     5407.75     5172.94    890.31 o
 -10   8   1      672.42      611.44    134.09 o
  -8   8   1     4265.31     4141.86    230.68 o
  -6   8   1     2651.19     2675.95    175.61 o
  -4   8   1     3060.50     2853.76    159.09 o
  -2   8   1    19574.31    18754.09    805.22 o
   2   8   1     8403.09     8190.95    254.11 o
   4   8   1     2867.55     2573.40    505.77 o
   6   8   1     8109.40     8044.22    267.31 o
   8   8   1     1456.18     1496.56    101.50 o
  -9   9   1      420.36      527.80    170.93 o
  -7   9   1     2168.67     1879.80    122.83 o
  -5   9   1     3797.41     3687.25    212.79 o
  -3   9   1      110.35       41.92     54.12 o
   5   9   1     2447.58     2396.68    143.74 o
   7   9   1      525.56      473.10     85.87 o
  -8  10   1      387.13      561.76     97.70 o
  -2  10   1     2189.07     2061.87    448.09 o
   2  10   1      203.88      181.29     45.12 o
   6  10   1      912.26      717.69    226.86 o
  -5  11   1      487.10      295.93     82.90 o
   1  11   1      990.01     1068.69    205.92 o
  -4  12   1     1224.02     1178.95    159.57 o
  -2  12   1     1988.23     1948.76    118.08 o
   2  12   1     3863.04     3720.65    260.88 o
   7   1   2     6302.69     6184.99    226.91 o
   4   2   2     3129.25     3256.95    140.11 o
   6   2   2     1000.12     1125.02    353.15 o
   8   2   2      523.18      487.43     51.86 o
  10   2   2      334.86      451.60     88.84 o
  -7   3   2      603.06      686.86     85.26 o
   3   3   2      169.18      128.86     39.54 o
   5   3   2      590.84      590.39     44.64 o
   7   3   2      460.70      450.69     62.86 o
 -10   4   2     1728.28     1657.27     91.50 o
  -8   4   2      725.44      805.66     90.42 o
  -6   4   2     1939.74     2097.46    125.05 o
  -4   4   2     1234.95     1333.31     88.20 o
  -2   4   2      192.84      374.49     66.35 o
   0   4   2     9808.01     9439.19    275.44 o
   2   4   2      138.47      200.18     39.43 o
   4   4   2     4782.65     4527.76    179.24 o
   6   4   2      524.75      506.77    177.82 o
   8   4   2      180.87      176.06     47.14 o
  10   4   2      602.85      630.83     71.43 o
 -11   5   2     4425.35     4332.95    241.56 o
  -9   5   2     2266.00     2124.41    444.92 o
  -7   5   2    18175.77    18753.92    870.76 o
  -5   5   2     3032.46     3440.54    148.55 o
  -3   5   2    23359.50    23024.48    654.74 o
  -1   5   2     3293.53     3353.19    145.34 o
   1   5   2    15292.51    15539.42    472.61 o
   3   5   2    22894.93    21455.65    692.76 o
   5   5   2     1344.90     1775.50    127.19 o
   7   5   2     7987.08     8659.24    315.48 o
   9   5   2     1575.15     1911.60    242.45 o
 -10   6   2      766.97      886.60     68.65 o
  -8   6   2      762.10      806.16     51.16 o
  -6   6   2     7834.61     7093.65    801.95 o
  -4   6   2     1350.90     1488.23     83.65 o
  -2   6   2     1242.96     1635.75     85.99 o
   0   6   2    18442.43    17979.47    949.34 o
   2   6   2      700.11      664.88     43.29 o
   4   6   2     2874.24     2595.98    246.33 o
   8   6   2     1758.90     1807.03     98.83 o
  10   6   2     1449.97     1514.69     86.04 o
 -11   7   2       22.46       94.91     71.26 o
  -9   7   2       87.73       29.78     77.63 o
  -7   7   2      814.82      850.10     52.50 o
  -5   7   2      391.65      504.06     76.40 o
  -3   7   2      937.16      959.77    211.57 o
  -1   7   2      637.75      724.33     65.63 o
   1   7   2      113.44       94.21     47.90 o
   3   7   2     1246.27     1112.51     81.49 o
   5   7   2      515.04      521.94     84.84 o
  -8   8   2      500.91      443.28     55.68 o
  -6   8   2      253.09      245.22    127.71 o
  -4   8   2      307.65      330.22     64.36 o
  -2   8   2      817.26      871.03     52.92 o
   0   8   2      691.74      706.41     47.26 o
   4   8   2      747.42      739.90     55.59 o
   6   8   2      597.89      667.54     81.00 o
  -7   9   2     1630.77     1789.13     92.52 o
  -3   9   2      682.96      705.44    151.25 o
   1   9   2      655.39      604.15     53.11 o
   3   9   2      451.07      413.49     70.84 o
   7   9   2      846.95      954.35     69.39 o
  -8  10   2     1730.55     1737.45    255.66 o
  -6  10   2     2791.73     3095.82    199.71 o
  -4  10   2     5726.02     5677.31    570.80 o
  -2  10   2     1662.69     1774.82    244.33 o
   0  10   2     7363.72     7261.20    317.73 o
   2  10   2     1045.50     1155.22    113.53 o
   4  10   2     8715.87     8573.08    370.03 o
   6  10   2      910.53      869.88    402.02 o
  -3  11   2     1693.30     1694.56    115.81 o
   1  11   2     1906.67     1748.17    103.30 o
   3  11   2     1928.67     1815.13    160.81 o
  -2  12   2      895.90      871.41     68.13 o
   0  12   2     1228.62     1244.67     86.52 o
   2  10   3     1038.89      918.92     80.77 o