data_[Li4Ga8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1489]
_cell_length_b [15.4393]
_cell_length_c [8.6973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(GaI3)2]
_chemical_formula_sum '[Li4 Ga8 I24]'
_cell_volume [1861.0556]
_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
[
  Li  Li0  4  0.0000  0.1982  0.7500  1.0
  Ga  Ga1  8  0.2111  0.4111  0.7901  1.0
  I  I2  8  0.1014  0.0882  0.0554  1.0
  I  I3  8  0.1402  0.2543  0.6753  1.0
  I  I4  8  0.1447  0.4858  0.9930  1.0
]