data_[Bi6Pt3]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.6085]
_cell_length_b [6.6085]
_cell_length_c [18.8991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Bi2Pt]
_chemical_formula_sum '[Bi6 Pt3]'
_cell_volume [714.7838]
_cell_formula_units_Z [3]
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  3  0.0000  0.3966  0.4121  1
  Bi  Bi1  2  0.3333  0.6667  0.5710  1
  Bi  Bi2  1  0.0000  0.0000  0.6184  1
  Pt  Pt3  3  0.0000  0.7423  0.5011  1
]