data_[Bi4Pd12Pb12]
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 [9.0828]
_cell_length_b [10.5947]
_cell_length_c [7.1808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi(PdPb)3]
_chemical_formula_sum '[Bi4 Pd12 Pb12]'
_cell_volume [684.7097]
_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  0.2312  0.5000  0.9474  1.0
  Pd  Pd1  8  0.2483  0.2006  0.3041  1.0
  Pd  Pd2  4  0.0024  0.0000  0.2074  1.0
  Pb  Pb3  4  0.0000  0.1843  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2510  0.0000  1.0
  Pb  Pb5  4  0.1817  0.5000  0.4113  1.0
]