data_[Bi4Pd2Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9543]
_cell_length_b [6.9616]
_cell_length_c [6.3488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2PdPb8]
_chemical_formula_sum '[Bi4 Pd2 Pb16]'
_cell_volume [695.8155]
_cell_formula_units_Z [2]
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  0.1428  0.0000  0.4157  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  8  0.0675  0.2636  0.7778  1.0
  Pb  Pb3  4  0.1423  0.5000  0.3628  1.0
  Pb  Pb4  4  0.2460  0.0000  0.0271  1.0
]