data_GeOsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   6.76
_cell_length_c   3.17
_cell_angle_alpha   83.29
_cell_angle_beta   70.49
_cell_angle_gamma   26.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsBr
_chemical_formula_sum   'Ge1 Os1 Br1'
_cell_volume   57.1
_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  0.58  0.75  1.0  1.0
  Os  Os2  1  0.58  0.75  0.3  1.0
  Br  Br0  1  0.58  0.75  0.99  1.0

data_GeOsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.16
_cell_length_b   13.14
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   119.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeOsBr
_chemical_formula_sum   'Ge2 Os2 Br2'
_cell_volume   114.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.5  0.58  1.0
  Os  Os1  2  0.3  0.0  0.88  1.0
  Br  Br2  2  0.49  0.5  0.57  1.0

Ge Os Br