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 [C2/m]
_cell_length_a [7.6806]
_cell_length_b [4.1788]
_cell_length_c [13.5611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdSbI]
_chemical_formula_sum '[Cd4 Sb4 I4]'
_cell_volume [430.6692]
_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  4  0.0413  0.5000  0.2774  1
  Sb  Sb1  4  0.1367  0.0000  0.4374  1
  I  I2  4  0.2009  0.0000  0.1469  1
]