data_[Ba12Zn8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6378]
_cell_length_b [11.8803]
_cell_length_c [15.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Zn2Pd3]
_chemical_formula_sum '[Ba12 Zn8 Pd12]'
_cell_volume [865.9605]
_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  0.0000  0.0870  0.6073  1
  Ba  Ba1  4  0.0000  0.3709  0.7500  1
  Zn  Zn2  8  0.0000  0.2112  0.0875  1
  Pd  Pd3  8  0.0000  0.3791  0.5380  1
  Pd  Pd4  4  0.0000  0.3116  0.2500  1
]