data_[Bi18Pd18Pb6]
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 [8.5002]
_cell_length_b [8.5002]
_cell_length_c [16.7869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Bi3Pd3Pb]
_chemical_formula_sum '[Bi18 Pd18 Pb6]'
_cell_volume [1050.4159]
_cell_formula_units_Z [6]
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  0.0104  0.7458  0.0977  1.0
  Pd  Pd1  18  0.0040  0.6077  0.9303  1.0
  Pb  Pb2  6  0.0000  0.0000  0.3334  1.0
]