data_[Li1Cd1I3]
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 [P1]
_cell_length_a [4.4082]
_cell_length_b [8.1334]
_cell_length_c [18.7297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.1096]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCdI3]
_chemical_formula_sum '[Li1 Cd1 I3]'
_cell_volume [669.8039]
_cell_formula_units_Z [1]
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  1  0.6456  0.8602  0.5711  1
  Cd  Cd1  1  0.2638  0.0739  0.4588  1
  I  I2  1  0.1666  0.0335  0.6146  1
  I  I3  1  0.4644  0.7585  0.4395  1
  I  I4  1  0.8043  0.2738  0.4160  1
]