data_[Li4Au8]
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 [Cm]
_cell_length_a [10.4526]
_cell_length_b [2.9617]
_cell_length_c [6.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiAu2]
_chemical_formula_sum '[Li4 Au8]'
_cell_volume [203.4526]
_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  2  0.2665  0.0000  0.0367  1.0
  Li  Li1  2  0.4573  0.5000  0.4038  1.0
  Au  Au2  2  0.1074  0.5000  0.7204  1.0
  Au  Au3  2  0.1798  0.5000  0.3196  1.0
  Au  Au4  2  0.3332  0.0000  0.6650  1.0
  Au  Au5  2  0.4892  0.5000  0.0212  1.0
]