data_[Sb12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.3871]
_cell_length_b [7.1608]
_cell_length_c [6.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sb3Pd2]
_chemical_formula_sum '[Sb12 Pd8]'
_cell_volume [468.9382]
_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
[
  Sb  Sb0  8  0.1676  0.4204  0.5740  1.0
  Sb  Sb1  4  0.0000  0.0779  0.7500  1.0
  Pd  Pd2  8  0.0894  0.2504  0.1530  1.0
]