data_InPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   3.72
_cell_angle_alpha   107.39
_cell_angle_beta   107.39
_cell_angle_gamma   126.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtSe2
_chemical_formula_sum   'In1 Pt1 Se2'
_cell_volume   83.51
_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  0.0  1.0
  Pt  Pt1  1  0.75  0.0  0.0  1.0
  Se  Se2  1  0.38  0.72  0.0  1.0
  Se  Se3  1  0.38  0.28  0.0  1.0

data_InPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.13
_cell_length_c   6.1
_cell_angle_alpha   109.46
_cell_angle_beta   107.39
_cell_angle_gamma   90.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtSe2
_chemical_formula_sum   'In1 Pt1 Se2'
_cell_volume   83.51
_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  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.75  1.0
  Se  Se2  1  0.28  0.28  0.65  1.0
  Se  Se3  1  0.72  0.72  0.1  1.0

In Pt Se Se
In Pt Se Se 0 1 - o o 0 3 o o o 1 2 o - o 