data_[Li12Zn2Au1]
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 [Pmmm]
_cell_length_a [2.7684]
_cell_length_b [4.9515]
_cell_length_c [18.8425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li12Zn2Au]
_chemical_formula_sum '[Li12 Zn2 Au1]'
_cell_volume [258.2913]
_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  2  0.0000  0.0000  0.2134  1
  Li  Li1  2  0.0000  0.0000  0.3520  1
  Li  Li2  2  0.0000  0.5000  0.1267  1
  Li  Li3  2  0.0000  0.5000  0.3822  1
  Li  Li4  2  0.5000  0.0000  0.0692  1
  Li  Li5  2  0.5000  0.2419  0.5000  1
  Zn  Zn6  2  0.5000  0.5000  0.2588  1
  Au  Au7  1  0.5000  0.5000  0.0000  1
]