data_[Bi4B4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.1609]
_cell_length_b [12.0967]
_cell_length_c [5.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BiBPt3]
_chemical_formula_sum '[Bi4 B4 Pt12]'
_cell_volume [347.8543]
_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  0.1286  0.1705  0.3028  1.0
  B  B1  4  0.1355  0.4274  0.7687  1.0
  Pt  Pt2  4  0.1771  0.2584  0.8334  1.0
  Pt  Pt3  4  0.3814  0.4577  0.2071  1.0
  Pt  Pt4  4  0.3844  0.0346  0.8404  1.0
]