data_[Li6Au10]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8794]
_cell_length_b [7.1288]
_cell_length_c [8.0160]
_cell_angle_alpha [89.9515]
_cell_angle_beta [79.6014]
_cell_angle_gamma [74.1925]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Au5]
_chemical_formula_sum '[Li6 Au10]'
_cell_volume [263.5358]
_cell_formula_units_Z [2]
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  2  0.1969  0.1828  0.5111  1.0
  Li  Li1  2  0.2803  0.9463  0.9697  1.0
  Li  Li2  2  0.3529  0.5006  0.8631  1.0
  Au  Au3  2  0.0050  0.7205  0.1476  1.0
  Au  Au4  2  0.2067  0.2915  0.1581  1.0
  Au  Au5  2  0.2629  0.8439  0.6605  1.0
  Au  Au6  2  0.2668  0.5356  0.4205  1.0
  Au  Au7  2  0.3849  0.8933  0.2826  1.0
]