data_[Ba8Sb4Pd8]
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 [C2/c]
_cell_length_a [10.5744]
_cell_length_b [6.2388]
_cell_length_c [8.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2SbPd2]
_chemical_formula_sum '[Ba8 Sb4 Pd8]'
_cell_volume [570.2549]
_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  0.1489  0.3601  0.6505  1.0
  Sb  Sb1  4  0.0000  0.1432  0.2500  1.0
  Pd  Pd2  8  0.1294  0.1251  0.9947  1.0
]