data_[Na8Li4I4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0056]
_cell_length_b [13.3590]
_cell_length_c [8.4202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2LiICl4]
_chemical_formula_sum '[Na8 Li4 I4 Cl16]'
_cell_volume [907.0949]
_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
[
  Na  Na0  4  0.0000  0.5000  0.0000  1.0
  Na  Na1  4  0.2500  0.2500  0.0000  1.0
  Li  Li2  4  0.2500  0.2500  0.5000  1.0
  I  I3  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  8  0.0687  0.2929  0.5926  1.0
  Cl  Cl5  8  0.2165  0.4361  0.3928  1.0
]