data_[Li2Cd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [16.5297]
_cell_length_b [3.7726]
_cell_length_c [19.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCdI4]
_chemical_formula_sum '[Li2 Cd2 I8]'
_cell_volume [1196.5588]
_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
[
  Li  Li0  2  0.4030  0.2500  0.5199  1
  Cd  Cd1  2  0.1633  0.7500  0.5329  1
  I  I2  2  0.0592  0.2500  0.6058  1
  I  I3  2  0.1982  0.2500  0.4201  1
  I  I4  2  0.3133  0.7500  0.6091  1
  I  I5  2  0.4471  0.7500  0.4092  1
]