data_[Li4Ga4Au12]
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 [P2_1/c]
_cell_length_a [7.3348]
_cell_length_b [6.7926]
_cell_length_c [7.6506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiGaAu3]
_chemical_formula_sum '[Li4 Ga4 Au12]'
_cell_volume [358.3978]
_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  0.2975  0.0382  0.7686  1.0
  Ga  Ga1  4  0.0796  0.7179  0.4308  1.0
  Au  Au2  4  0.1278  0.1116  0.4033  1.0
  Au  Au3  4  0.3142  0.0440  0.1411  1.0
  Au  Au4  4  0.4442  0.7010  0.9910  1.0
]