data_[Li2Ir2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4701]
_cell_length_b [3.5811]
_cell_length_c [6.4104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiIrCl4]
_chemical_formula_sum '[Li2 Ir2 Cl8]'
_cell_volume [284.9274]
_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  0.0000  0.5000  0.5000  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  4  0.1032  0.0000  0.3317  1.0
  Cl  Cl3  4  0.1057  0.5000  0.8878  1.0
]