data_InPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   148.8
_cell_angle_beta   122.2
_cell_angle_gamma   67.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Se
_chemical_formula_sum   'In1 Pt2 Se1'
_cell_volume   73.2
_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  0.0  0.61  1.0
  Pt  Pt1  1  0.0  0.67  0.34  1.0
  Pt  Pt2  1  0.49  0.0  0.27  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_InPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.34
_cell_length_c   5.53
_cell_angle_alpha   118.9
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Se
_chemical_formula_sum   'In1 Pt2 Se1'
_cell_volume   73.2
_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  0.39  0.39  0.39  1.0
  Pt  Pt1  1  0.22  0.73  0.22  1.0
  Pt  Pt2  1  0.66  0.33  0.33  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In Pt Pt Se