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 [13.0723]
_cell_length_b [4.3387]
_cell_length_c [9.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdSbI]
_chemical_formula_sum '[Cd4 Sb4 I4]'
_cell_volume [467.5573]
_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  0.1957  0.5000  0.0702  1
  Cd  Cd1  2  0.2754  0.0000  0.6883  1
  Sb  Sb2  2  0.4332  0.5000  0.1880  1
  Sb  Sb3  2  0.4605  0.0000  0.9966  1
  I  I4  2  0.1202  0.5000  0.6648  1
  I  I5  2  0.2751  0.0000  0.3776  1
]