data_[Li4Au8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1527]
_cell_length_b [12.9173]
_cell_length_c [7.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(AuBr3)2]
_chemical_formula_sum '[Li4 Au8 Br24]'
_cell_volume [1274.0437]
_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  0.1618  0.2500  1.0
  Au  Au1  8  0.2438  0.0807  0.3757  1.0
  Br  Br2  8  0.1319  0.1665  0.5609  1.0
  Br  Br3  8  0.1388  0.1500  0.0731  1.0
  Br  Br4  8  0.1462  0.4890  0.3158  1.0
]