data_[Ba4Cd2Si2Pd12]
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
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9789]
_cell_length_b [5.8141]
_cell_length_c [8.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CdSiPd6]
_chemical_formula_sum '[Ba4 Cd2 Si2 Pd12]'
_cell_volume [462.4944]
_cell_formula_units_Z [2]
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  4  0.2382  0.5000  0.1955  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0235  0.2426  0.3026  1.0
  Pd  Pd4  4  0.2456  0.5000  0.6104  1.0
]