data_InPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Br
_chemical_formula_sum   'In1 Pt2 Br1'
_cell_volume   75.21
_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  In1  1  0.03  0.0  0.0  1.0
  Pt  Pt2  1  0.52  0.09  0.63  1.0
  Pt  Pt3  1  0.52  0.91  0.63  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_InPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   103.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Br
_chemical_formula_sum   'In1 Pt2 Br1'
_cell_volume   75.21
_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  0.03  0.0  1.0
  Pt  Pt1  1  0.63  0.52  0.09  1.0
  Pt  Pt2  1  0.63  0.52  0.91  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In Pt Pt Br