data_GeIrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.09
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   114.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIrBr2
_chemical_formula_sum   'Ge1 Ir1 Br2'
_cell_volume   88.63
_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  0.63  0.0  0.97  1.0
  Ir  Ir3  1  0.7  0.05  0.32  1.0
  Br  Br0  1  0.05  0.0  0.34  1.0
  Br  Br1  1  0.54  0.05  0.6  1.0

data_GeIrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.49
_cell_length_c   5.3
_cell_angle_alpha   114.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIrBr2
_chemical_formula_sum   'Ge1 Ir1 Br2'
_cell_volume   88.63
_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  0.37  0.03  1.0
  Ir  Ir1  1  0.95  0.3  0.68  1.0
  Br  Br2  1  0.0  0.95  0.66  1.0
  Br  Br3  1  0.95  0.46  0.4  1.0

Ge Ir Br Br