data_GeBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.14
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   95.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBOs2
_chemical_formula_sum   'Ge1 B1 Os2'
_cell_volume   56.39
_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  0.19  0.07  0.53  1.0
  B  B0  1  0.65  0.0  0.82  1.0
  Os  Os2  1  0.21  0.0  0.27  1.0
  Os  Os3  1  0.64  0.07  0.42  1.0

data_GeBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.14
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   95.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBOs2
_chemical_formula_sum   'Ge1 B1 Os2'
_cell_volume   56.39
_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  0.19  0.07  0.53  1.0
  B  B1  1  0.65  0.0  0.82  1.0
  Os  Os2  1  0.21  0.0  0.27  1.0
  Os  Os3  1  0.64  0.07  0.42  1.0

Ge B Os Os
Ge B Os Os 0 2 o o o 0 3 o o o 0 3 - o o 0 1 o o o 0 1 - o o 1 3 o o o 2 3 o o o 