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-Hopt/inderite-Hopt.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  0.25554000  0.21593000  0.11712000
O0002  O   0.68846000  0.14513000  0.43446000
O0003  O   0.49914000  0.20971000  0.25525000
O0004  O   0.76635000  0.08591000  0.25799000
O0005  O   0.45422000  0.03518000  0.30389000
O0006  O   0.27814000  0.88970000  0.20271000
O0007  O   0.54471000  0.96394000  0.13879000
O0008  O   0.86228000  0.99248000  0.10960000
O0009  O   0.23444000  0.05904000  0.11597000
O0010  O   0.42303000  0.20585000  0.99206000
O0011  O   0.98898000  0.21720000  0.98621000
O0012  O   0.27596000  0.37071000  0.10495000
O0013  O   0.06975000  0.23179000  0.23651000
O0014  O   0.15545000  0.02048000  0.41014000
B0015  B   0.59920000  0.11845000  0.31376000
B0016  B   0.37922000  0.98747000  0.19274000
B0017  B   0.72279000  0.01671000  0.17064000
H0018  H   0.73297522  0.09239827  0.48214921
H0019  H   0.58102556  0.26591884  0.27178457
H0020  H   0.19823714  0.89114178  0.25154861
H0021  H   0.98133334  0.02708386  0.12598779
H0022  H   0.21331033  0.04225707  0.03843053
H0023  H   0.49844626  0.25657442  0.97369610
H0024  H   0.44217326  0.14278576  0.95076386
H0025  H   0.88736716  0.26472009  0.97334374
H0026  H   0.93917158  0.16408097  0.93212159
H0027  H   0.38477886  0.41319126  0.14088145
H0028  H   0.21642954  0.39795310  0.03191965
H0029  H   0.96169580  0.18994895  0.23596235
H0030  H   0.13291890  0.24586508  0.31044688
H0031  H   0.02975939  0.03365940  0.36372320
H0032  H   0.25416112  0.03047178  0.37036530
#End data_Wien2k_Data

