data_[Sb8Pd16I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.5216]
_cell_length_b [10.2997]
_cell_length_c [6.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sb2Pd4I]
_chemical_formula_sum '[Sb8 Pd16 I4]'
_cell_volume [611.4629]
_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  4  0.1475  0.2115  0.8642  1
  Sb  Sb1  4  0.3774  0.0854  0.6767  1
  Pd  Pd2  4  0.0841  0.4413  0.6413  1
  Pd  Pd3  4  0.1263  0.0093  0.1123  1
  Pd  Pd4  4  0.3986  0.1683  0.3093  1
  Pd  Pd5  4  0.4034  0.3065  0.9198  1
  I  I6  4  0.3407  0.5920  0.9759  1
]