data_[Li4Au4I20]
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 [13.7242]
_cell_length_b [11.6088]
_cell_length_c [10.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAuI5]
_chemical_formula_sum '[Li4 Au4 I20]'
_cell_volume [1440.8977]
_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  0.3149  0.7500  1.0
  Au  Au1  4  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0518  0.3868  0.5369  1.0
  I  I3  8  0.1816  0.1380  0.5902  1.0
  I  I4  4  0.0000  0.0773  0.7500  1.0
]