data_[Ca6Pd9Pb3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5034]
_cell_length_b [9.5034]
_cell_length_c [13.9030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Pd3PbAu12]
_chemical_formula_sum '[Ca6 Pd9 Pb3 Au36]'
_cell_volume [1087.4189]
_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
[
  Ca  Ca0  6  0.0000  0.0000  0.2683  1
  Pd  Pd1  9  0.0000  0.5000  0.5000  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0065  0.5032  0.2984  1
  Au  Au4  18  0.0217  0.5108  0.1012  1
]