data_GeIrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   152.81
_cell_angle_beta   142.38
_cell_angle_gamma   47.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIrBr2
_chemical_formula_sum   'Ge1 Ir1 Br2'
_cell_volume   90.17
_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  Ge2  1  0.0  0.0  0.4  1.0
  Ir  Ir3  1  0.62  0.0  0.45  1.0
  Br  Br0  1  0.0  0.0  0.49  1.0
  Br  Br1  1  0.0  0.22  0.26  1.0

data_GeIrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.43
_cell_length_c   6.87
_cell_angle_alpha   108.81
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIrBr2
_chemical_formula_sum   'Ge1 Ir1 Br2'
_cell_volume   90.17
_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  0.0  0.4  0.4  1.0
  Ir  Ir1  1  0.0  0.45  0.84  1.0
  Br  Br2  1  0.0  0.49  0.49  1.0
  Br  Br3  1  0.78  0.04  0.04  1.0

Ge Ir Br Br