data_[Cd4In4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8582]
_cell_length_b [13.4676]
_cell_length_c [7.5205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In2I7]
_chemical_formula_sum '[Cd4 In4 I14]'
_cell_volume [1083.3759]
_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
[
  Cd  Cd0  4  0.2471  0.0000  0.4109  1.0
  In  In1  4  0.0000  0.3020  0.0000  1.0
  I  I2  8  0.2419  0.3207  0.7795  1.0
  I  I3  4  0.0990  0.5000  0.2420  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]