data_[Ba16Cd4Pd4]
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 [10.4536]
_cell_length_b [17.1869]
_cell_length_c [7.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4CdPd]
_chemical_formula_sum '[Ba16 Cd4 Pd4]'
_cell_volume [1163.6345]
_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  0.1400  0.2053  0.1339  1.0
  Ba  Ba1  8  0.2493  0.0385  0.7300  1.0
  Cd  Cd2  4  0.0000  0.3723  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0693  0.2500  1.0
]