data_InPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   7.45
_cell_angle_alpha   107.59
_cell_angle_beta   107.59
_cell_angle_gamma   51.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtBr2
_chemical_formula_sum   'In1 Pt1 Br2'
_cell_volume   103.56
_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
  In  In2  1  0.43  0.0  0.89  1.0
  Pt  Pt3  1  0.02  0.0  0.18  1.0
  Br  Br0  1  0.25  0.0  0.45  1.0
  Br  Br1  1  0.5  0.0  0.04  1.0

data_InPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.33
_cell_length_c   7.4
_cell_angle_alpha   73.7
_cell_angle_beta   75.18
_cell_angle_gamma   64.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtBr2
_chemical_formula_sum   'In1 Pt1 Br2'
_cell_volume   103.56
_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
  In  In0  1  0.0  0.54  0.89  1.0
  Pt  Pt1  1  0.0  0.84  0.18  1.0
  Br  Br2  1  0.0  0.47  0.04  1.0
  Br  Br3  1  0.0  0.8  0.45  1.0

In Pt Br Br