data_[In2Pt2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8022]
_cell_length_b [6.9886]
_cell_length_c [19.3446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.7769]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2Pt2Se3]
_chemical_formula_sum '[In2 Pt2 Se3]'
_cell_volume [511.4131]
_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  0.1351  0.6397  0.4254  1
  In  In1  1  0.3400  0.2681  0.4536  1
  Pt  Pt2  1  0.4335  0.4402  0.5821  1
  Pt  Pt3  1  0.7890  0.0252  0.4939  1
  Se  Se4  1  0.6814  0.8690  0.3783  1
  Se  Se5  1  0.8810  0.2099  0.6029  1
  Se  Se6  1  0.9709  0.6710  0.5638  1
]