data_[Li14Au6]
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 [C2/m]
_cell_length_a [14.1923]
_cell_length_b [4.2983]
_cell_length_c [5.4832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Au3]
_chemical_formula_sum '[Li14 Au6]'
_cell_volume [311.4582]
_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  4  0.1056  0.5000  0.8905  1.0
  Li  Li1  4  0.1103  0.5000  0.3839  1.0
  Li  Li2  4  0.2001  0.0000  0.2655  1.0
  Li  Li3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.1992  0.0000  0.7651  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]