data_[Ca24Cd64Pd32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.7177]
_cell_length_b [13.7177]
_cell_length_c [13.7177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ca3(Cd2Pd)4]
_chemical_formula_sum '[Ca24 Cd64 Pd32]'
_cell_volume [2581.3555]
_cell_formula_units_Z [8]
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  24  0.0000  0.0000  0.2873  1
  Cd  Cd1  32  0.1195  0.1195  0.1195  1
  Cd  Cd2  32  0.1651  0.1651  0.3349  1
  Pd  Pd3  24  0.0000  0.2500  0.2500  1
  Pd  Pd4  4  0.0000  0.0000  0.0000  1
  Pd  Pd5  4  0.0000  0.0000  0.5000  1
]