data_[Pt6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.7798]
_cell_length_b [21.2623]
_cell_length_c [12.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Pt3Se4]
_chemical_formula_sum '[Pt6 Se8]'
_cell_volume [1013.2337]
_cell_formula_units_Z [2]
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
[
  Pt  Pt0  2  0.2312  0.0475  0.4185  1
  Pt  Pt1  2  0.2316  0.0105  0.6226  1
  Pt  Pt2  2  0.7297  0.0164  0.2732  1
  Se  Se3  2  0.1489  0.1472  0.8201  1
  Se  Se4  2  0.2205  0.0883  0.2322  1
  Se  Se5  2  0.6985  0.0797  0.8803  1
  Se  Se6  2  0.7321  0.0748  0.5458  1
]