data_[Bi32Te8Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [12.3454]
_cell_length_b [12.3454]
_cell_length_c [12.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Bi4TePt2]
_chemical_formula_sum '[Bi32 Te8 Pt16]'
_cell_volume [1881.5571]
_cell_formula_units_Z [8]
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  32  0.0998  0.0998  0.9002  1
  Te  Te1  8  0.0000  0.0000  0.5000  1
  Pt  Pt2  16  0.1250  0.1250  0.1250  1
]