data_[Li5Zn5Au2]
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-1]
_cell_length_a [4.7758]
_cell_length_b [6.2630]
_cell_length_c [6.8025]
_cell_angle_alpha [68.2170]
_cell_angle_beta [87.3063]
_cell_angle_gamma [74.4916]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5Zn5Au2]
_chemical_formula_sum '[Li5 Zn5 Au2]'
_cell_volume [181.7524]
_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  0.0790  0.2519  0.5773  1
  Li  Li1  2  0.2503  0.7321  0.7589  1
  Li  Li2  1  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.3505  0.0024  0.3366  1
  Zn  Zn4  2  0.4090  0.2427  0.9161  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
  Au  Au6  2  0.1726  0.5045  0.1762  1
]