data_[Ba4Cd4Bi4Pd12]
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
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7506]
_cell_length_b [12.9617]
_cell_length_c [6.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCdBiPd3]
_chemical_formula_sum '[Ba4 Cd4 Bi4 Pd12]'
_cell_volume [606.2018]
_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  4  0.0000  0.3076  0.2500  1
  Cd  Cd1  4  0.0000  0.0511  0.2500  1
  Bi  Bi2  4  0.0000  0.3709  0.7500  1
  Pd  Pd3  8  0.2122  0.5000  0.0000  1
  Pd  Pd4  4  0.0000  0.1593  0.7500  1
]