data_[Cd4Sb4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2732]
_cell_length_b [4.3301]
_cell_length_c [8.5963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdSbI]
_chemical_formula_sum '[Cd4 Sb4 I4]'
_cell_volume [455.1816]
_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
[
  Cd  Cd0  2  0.2341  0.5000  0.0900  1.0
  Cd  Cd1  2  0.4474  0.5000  0.7606  1.0
  Sb  Sb2  2  0.0957  0.5000  0.2717  1.0
  Sb  Sb3  2  0.4529  0.5000  0.0900  1.0
  I  I4  2  0.1804  0.0000  0.8139  1.0
  I  I5  2  0.3693  0.0000  0.5189  1.0
]