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 [C2/m]
_cell_length_a [10.6845]
_cell_length_b [5.7346]
_cell_length_c [6.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiBPt3]
_chemical_formula_sum '[Bi4 B4 Pt12]'
_cell_volume [333.9231]
_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  0.0755  0.5000  0.2893  1.0
  B  B1  4  0.1601  0.0000  0.0040  1.0
  Pt  Pt2  8  0.1900  0.2471  0.7451  1.0
  Pt  Pt3  4  0.0584  0.0000  0.2563  1.0
]