data_Ge2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   152.63
_cell_angle_beta   135.82
_cell_angle_gamma   52.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2OsBr
_chemical_formula_sum   'Ge2 Os1 Br1'
_cell_volume   79.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ge  Ge1  1  0.49  0.0  0.52  1.0
  Ge  Ge2  1  0.0  0.36  0.11  1.0
  Os  Os3  1  0.0  0.0  0.63  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ge2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.73
_cell_length_c   6.28
_cell_angle_alpha   112.09
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2OsBr
_chemical_formula_sum   'Ge2 Os1 Br1'
_cell_volume   79.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ge  Ge0  1  0.89  0.25  0.25  1.0
  Ge  Ge1  1  0.97  0.48  0.97  1.0
  Os  Os2  1  0.37  0.37  0.37  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ge Ge Os Br
Ge Ge Os Br 0 3 o o o 0 3 + o + 0 1 + o + 0 2 + o o 1 2 o o - 1 3 o o o 