data_[Li8I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [8.0925]
_cell_length_b [7.1620]
_cell_length_c [6.5848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li4ICl3]
_chemical_formula_sum '[Li8 I2 Cl6]'
_cell_volume [381.6409]
_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  4  0.2285  0.6482  0.6428  1
  Li  Li1  2  0.0000  0.1532  0.5730  1
  Li  Li2  2  0.0000  0.7911  0.1402  1
  I  I3  2  0.0000  0.1557  0.0020  1
  Cl  Cl4  4  0.2483  0.3402  0.5052  1
  Cl  Cl5  2  0.0000  0.8168  0.5041  1
]