data_[Li12Ga4Au24]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.6532]
_cell_length_b [15.8707]
_cell_length_c [5.5080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3GaAu6]
_chemical_formula_sum '[Li12 Ga4 Au24]'
_cell_volume [756.4280]
_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  8  0.2324  0.1468  0.8538  1.0
  Li  Li1  4  0.0000  0.4362  0.9510  1.0
  Ga  Ga2  4  0.0000  0.2612  0.6140  1.0
  Au  Au3  8  0.2364  0.0107  0.1859  1.0
  Au  Au4  8  0.2395  0.3185  0.8393  1.0
  Au  Au5  4  0.0000  0.0946  0.5135  1.0
  Au  Au6  4  0.0000  0.2708  0.1489  1.0
]