data_[Ba5Cd3Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.8534]
_cell_length_b [9.8534]
_cell_length_c [5.3266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba5(CdPd)3]
_chemical_formula_sum '[Ba5 Cd3 Pd3]'
_cell_volume [447.8719]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  3  0.0000  0.7509  0.5000  1
  Ba  Ba1  2  0.3333  0.6667  0.5000  1
  Cd  Cd2  3  0.0000  0.3779  0.0000  1
  Pd  Pd3  3  0.0000  0.3749  0.5000  1
]