data_[Li24Tl10Au4]
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 [13.1975]
_cell_length_b [7.7152]
_cell_length_c [7.1621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Tl5Au2]
_chemical_formula_sum '[Li24 Tl10 Au4]'
_cell_volume [729.0178]
_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  8  0.1272  0.2791  0.6861  1.0
  Li  Li1  8  0.1443  0.1894  0.2442  1.0
  Li  Li2  4  0.0394  0.5000  0.3038  1.0
  Li  Li3  4  0.0808  0.0000  0.8980  1.0
  Tl  Tl4  4  0.2075  0.5000  0.9976  1.0
  Tl  Tl5  4  0.2419  0.5000  0.4463  1.0
  Tl  Tl6  2  0.0000  0.0000  0.5000  1.0
  Au  Au7  4  0.0000  0.3037  0.0000  1.0
]