data_[Ba12Sb12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7738]
_cell_length_b [12.6651]
_cell_length_c [16.6947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Sb3Pd2]
_chemical_formula_sum '[Ba12 Sb12 Pd8]'
_cell_volume [1009.3811]
_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  0.0747  0.6053  1
  Ba  Ba1  4  0.0000  0.3587  0.7500  1
  Sb  Sb2  8  0.0000  0.3481  0.5397  1
  Sb  Sb3  4  0.0000  0.3360  0.2500  1
  Pd  Pd4  8  0.0000  0.2229  0.0979  1
]