data_[Li16Tl4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6109]
_cell_length_b [4.3435]
_cell_length_c [6.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Tl2Au]
_chemical_formula_sum '[Li16 Tl4 Au2]'
_cell_volume [396.2390]
_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  4  0.0305  0.0000  0.7406  1.0
  Li  Li1  4  0.0936  0.5000  0.4263  1.0
  Li  Li2  4  0.1417  0.0000  0.1725  1.0
  Li  Li3  4  0.1679  0.5000  0.9071  1.0
  Tl  Tl4  4  0.2116  0.0000  0.6489  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]