data_[Ba8Sb12Pd16]
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 [Cmce]
_cell_length_a [6.6653]
_cell_length_b [16.7407]
_cell_length_c [7.7303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Sb3Pd4]
_chemical_formula_sum '[Ba8 Sb12 Pd16]'
_cell_volume [862.5609]
_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  0.1018  0.5859  1.0
  Sb  Sb1  8  0.2500  0.2376  0.2500  1.0
  Sb  Sb2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1740  0.9981  1.0
  Pd  Pd4  8  0.2500  0.0731  0.2500  1.0
]