data_[Ba8Cd36Pd12]
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 [C2/c]
_cell_length_a [15.2417]
_cell_length_b [8.2415]
_cell_length_c [12.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2(Cd3Pd)3]
_chemical_formula_sum '[Ba8 Cd36 Pd12]'
_cell_volume [1351.3668]
_cell_formula_units_Z [4]
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  8  0.1734  0.5702  0.7401  1
  Cd  Cd1  8  0.0604  0.4112  0.9189  1
  Cd  Cd2  8  0.0943  0.9151  0.5396  1
  Cd  Cd3  8  0.1002  0.1663  0.7450  1
  Cd  Cd4  8  0.2200  0.0871  0.4392  1
  Cd  Cd5  4  0.0000  0.1600  0.2500  1
  Pd  Pd6  8  0.0870  0.2677  0.5069  1
  Pd  Pd7  4  0.2500  0.2500  0.0000  1
]