data_Wien2k_Data
_cell_length_a    6.822100
_cell_length_b   13.114500
_cell_length_c   12.035000
_cell_angle_alpha   90.000000
_cell_angle_beta   104.552000
_cell_angle_gamma   90.000000
_symmetry_space_group_name_H-M         'P21/c  '
_symmetry_space_group_number   14

_refine_date  ' 6- 5-2012'
_refine_method 'generated from Wien2k code' 
_refine_special_details 
;
Structure converted from Wien2k struct file, Version 9.1
File Name /home/users/islzb/workspaces/Inderite/Inderite.struct                           
Title 'Inderite'
;

loop_
_symmetry_equiv_pos_as_xyz
   +x,+y,+z
   -x,-y,-z
   -x,+y+1/2,-z+1/2
   +x,-y+1/2,+z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg001  Mg  0.25580365  0.21608648  0.11712404
O0002  O   0.68893468  0.14501021  0.43403389
O0003  O   0.49875540  0.20999021  0.25488071
O0004  O   0.76656933  0.08600564  0.25798999
O0005  O   0.45440052  0.03556751  0.30381358
O0006  O   0.27859208  0.89011792  0.20256454
O0007  O   0.54466539  0.96387034  0.13888765
O0008  O   0.86289717  0.99228794  0.10921051
O0009  O   0.23439100  0.05826607  0.11601638
O0010  O   0.42417195  0.20597573  0.99208514
O0011  O   0.98823220  0.21768646  0.98618513
O0012  O   0.27634631  0.37165748  0.10488207
O0013  O   0.07031892  0.23141381  0.23703182
O0014  O   0.15582599  0.02164417  0.41011097
B0015  B   0.59932097  0.11861525  0.31358958
B0016  B   0.37940887  0.98749520  0.19272794
B0017  B   0.72300452  0.01671510  0.17058003
H0018  H   0.73931279  0.08606026  0.48383095
H0019  H   0.58312803  0.27269404  0.26979279
H0020  H   0.19204902  0.89439587  0.25561881
H0021  H   0.99658556  0.02817391  0.12503284
H0022  H   0.21116187  0.03475412  0.03457256
H0023  H   0.51336316  0.26056801  0.97580036
H0024  H   0.44556445  0.14521346  0.94693795
H0025  H   0.87986016  0.27157851  0.97154346
H0026  H   0.92893617  0.16396575  0.93052172
H0027  H   0.38762348  0.41823024  0.14178109
H0028  H   0.21873420  0.40450518  0.02849773
H0029  H   0.95664510  0.18560109  0.24103575
H0030  H   0.14116039  0.24505296  0.31712802
H0031  H   0.02145424  0.03840586  0.36003252
H0032  H   0.26202791  0.03740241  0.36726420
#End data_Wien2k_Data

