data_[Bi4Pt4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.5533]
_cell_length_b [6.5533]
_cell_length_c [6.5533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [BiPtSe]
_chemical_formula_sum '[Bi4 Pt4 Se4]'
_cell_volume [281.4336]
_cell_formula_units_Z [4]
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
[
  Bi  Bi0  4  0.1292  0.6292  0.8708  1.0
  Pt  Pt1  4  0.0120  0.0120  0.0120  1.0
  Se  Se2  4  0.1199  0.8801  0.3801  1.0
]