data_[Li4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2243]
_cell_length_b [14.0294]
_cell_length_c [7.4434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(AuI3)2]
_chemical_formula_sum '[Li4 Au8 I24]'
_cell_volume [1572.5001]
_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  0.1626  0.7500  1.0
  Au  Au1  8  0.2407  0.0817  0.8960  1.0
  I  I2  8  0.1247  0.1792  0.0702  1.0
  I  I3  8  0.1473  0.1406  0.5771  1.0
  I  I4  8  0.1530  0.4697  0.7828  1.0
]