data_[Sb4Pd2I16]
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 [C2/m]
_cell_length_a [13.7735]
_cell_length_b [8.2342]
_cell_length_c [9.9212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2PdI8]
_chemical_formula_sum '[Sb4 Pd2 I16]'
_cell_volume [1090.5405]
_cell_formula_units_Z [2]
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  0.1294  0.0000  0.3871  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1154  0.2281  0.1460  1.0
  I  I3  4  0.1130  0.0000  0.6866  1.0
  I  I4  4  0.1576  0.5000  0.5220  1.0
]