data_[Bi8Pd4Pb8]
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 [7.5852]
_cell_length_b [12.5768]
_cell_length_c [7.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2PdPb2]
_chemical_formula_sum '[Bi8 Pd4 Pb8]'
_cell_volume [590.9703]
_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  0.2491  0.5000  0.1282  1.0
  Bi  Bi1  4  0.2497  0.0000  0.4045  1.0
  Pd  Pd2  4  0.0000  0.1194  0.0000  1.0
  Pb  Pb3  8  0.0446  0.2872  0.7550  1.0
]