data_[B4Pt12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0474]
_cell_length_b [3.9423]
_cell_length_c [10.5990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BPt3Pb]
_chemical_formula_sum '[B4 Pt12 Pb4]'
_cell_volume [336.2531]
_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
[
  B  B0  4  0.1060  0.2500  0.6640  1.0
  Pt  Pt1  4  0.0977  0.7500  0.7545  1.0
  Pt  Pt2  4  0.1103  0.2500  0.4646  1.0
  Pt  Pt3  4  0.1561  0.7500  0.2715  1.0
  Pb  Pb4  4  0.1560  0.2500  0.0393  1.0
]