data_[Li4Zn8Au2]
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 [P2_1/m]
_cell_length_a [6.7471]
_cell_length_b [4.8865]
_cell_length_c [7.3154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2Zn4Au]
_chemical_formula_sum '[Li4 Zn8 Au2]'
_cell_volume [217.4745]
_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  2  0.0354  0.2500  0.4268  1
  Li  Li1  2  0.1961  0.7500  0.9969  1
  Zn  Zn2  4  0.3888  0.0004  0.7773  1
  Zn  Zn3  2  0.2468  0.2500  0.2027  1
  Zn  Zn4  2  0.3950  0.7500  0.4236  1
  Au  Au5  2  0.0357  0.2500  0.7909  1
]