data_Wien2k_Data
_cell_length_a    8.347897
_cell_length_b   10.606796
_cell_length_c    6.444697
_cell_angle_alpha   98.846000
_cell_angle_beta   108.981000
_cell_angle_gamma  105.581000
_symmetry_space_group_name_H-M         'P-1    '
_symmetry_space_group_number    2

_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/kur-vlad-fopt/kur-vlad-fopt.struct                 
Title 'blebleble'
;

loop_
_symmetry_equiv_pos_as_xyz
   +x,+y,+z
   -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg001  Mg  0.65279310  0.23159793  0.80249309
B0002  B   0.76772580  0.22680177  0.35193384
B0003  B   0.11344292  0.35239035  0.50099115
B0004  B   0.98261134  0.10408154  0.30491388
O0005  O   0.92408922  0.31738581  0.92186902
O0006  O   0.59946152  0.41207384  0.78390425
O0007  O   0.38199785  0.13442785  0.66761664
O0008  O   0.66903318  0.03261506  0.80857568
O0009  O   0.64814779  0.18989498  0.47277139
O0010  O   0.66987308  0.26603377  0.14461118
O0011  O   0.80912846  0.10157395  0.26504609
O0012  O   0.93461005  0.33299608  0.51025174
O0013  O   0.14945680  0.44358415  0.35558734
O0014  O   0.25619799  0.40461211  0.73603987
O0015  O   0.13011494  0.22115838  0.40536865
O0016  O   0.01500732  0.98592385  0.23999615
O0017  O   0.28445458  0.23751323  0.04138957
H0018  H   0.01338844  0.37320451  0.07673812
H0019  H   0.96811022  0.33408081  0.79986755
H0020  H   0.66437282  0.47132522  0.71081122
H0021  H   0.47649848  0.41721622  0.74962385
H0022  H   0.29387802  0.17105338  0.57615645
H0023  H   0.31405308  0.04776180  0.68529142
H0024  H   0.77319352  0.02273026  0.77370955
H0025  H   0.70666871  0.03954083  0.97419080
H0026  H   0.53461427  0.11540352  0.37439477
H0027  H   0.54829315  0.25951731  0.13772009
H0028  H   0.11758687  0.52480617  0.40180073
H0029  H   0.27095056  0.49733528  0.80885441
H0030  H   0.90479331  0.90584006  0.14461559
H0031  H   0.24634418  0.26160975  0.16632009
H0032  H   0.27253161  0.30504864  0.95123809
#End data_Wien2k_Data

