data_[Li4Ga12Au24]
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 [8.5249]
_cell_length_b [12.9539]
_cell_length_c [6.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(GaAu2)3]
_chemical_formula_sum '[Li4 Ga12 Au24]'
_cell_volume [755.9079]
_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  0.1775  0.4975  1.0
  Ga  Ga1  8  0.2091  0.0927  0.0036  1.0
  Ga  Ga2  4  0.0000  0.4350  0.8040  1.0
  Au  Au3  8  0.1777  0.4185  0.1404  1.0
  Au  Au4  8  0.1877  0.2743  0.7742  1.0
  Au  Au5  4  0.0000  0.0105  0.7245  1.0
  Au  Au6  4  0.0000  0.2276  0.1231  1.0
]