data_[Bi36Pd21Pb3]
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 [R-3]
_cell_length_a [15.2750]
_cell_length_b [15.2750]
_cell_length_c [7.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Bi12Pd7Pb]
_chemical_formula_sum '[Bi36 Pd21 Pb3]'
_cell_volume [1577.7439]
_cell_formula_units_Z [3]
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  18  0.0598  0.7914  0.9892  1.0
  Bi  Bi1  18  0.0608  0.2108  0.3686  1.0
  Pd  Pd2  18  0.0510  0.1783  0.7437  1.0
  Pd  Pd3  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb4  3  0.0000  0.0000  0.0000  1.0
]