data_[Li1Ga1Au6]
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 [P-1]
_cell_length_a [5.0906]
_cell_length_b [5.3500]
_cell_length_c [5.6258]
_cell_angle_alpha [89.3528]
_cell_angle_beta [77.3935]
_cell_angle_gamma [87.0414]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiGaAu6]
_chemical_formula_sum '[Li1 Ga1 Au6]'
_cell_volume [149.3256]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  1  0.5000  0.5000  0.5000  1.0
  Au  Au2  2  0.0070  0.5230  0.2443  1.0
  Au  Au3  2  0.2605  0.0823  0.4279  1.0
  Au  Au4  2  0.4671  0.2529  0.9270  1.0
]