data_[Ba8Sb8Pd4]
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/m]
_cell_length_a [12.8652]
_cell_length_b [4.5742]
_cell_length_c [12.5671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sb2Pd]
_chemical_formula_sum '[Ba8 Sb8 Pd4]'
_cell_volume [694.0445]
_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  0.0822  0.0000  0.8979  1
  Ba  Ba1  4  0.1945  0.5000  0.6368  1
  Sb  Sb2  4  0.0424  0.0000  0.4054  1
  Sb  Sb3  4  0.1555  0.5000  0.1443  1
  Pd  Pd4  4  0.0748  0.5000  0.3130  1
]