data_[Li1Zn6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.0260]
_cell_length_b [8.0260]
_cell_length_c [3.5353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li(Zn3Au2)2]
_chemical_formula_sum '[Li1 Zn6 Au4]'
_cell_volume [197.2230]
_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
  Zn  Zn1  3  0.1867  0.3734  0.5000  1.0
  Zn  Zn2  3  0.5255  0.0509  0.0000  1.0
  Au  Au3  3  0.3788  0.1894  0.5000  1.0
  Au  Au4  1  0.3333  0.6667  0.0000  1.0
]