data_[Li8Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0653]
_cell_length_b [6.0798]
_cell_length_c [5.0622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2SnAu3]
_chemical_formula_sum '[Li8 Sn4 Au12]'
_cell_volume [432.7899]
_cell_formula_units_Z [4]
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  0.1727  0.3799  0.5705  1.0
  Sn  Sn1  4  0.0000  0.1509  0.7500  1.0
  Au  Au2  8  0.1722  0.1226  0.0741  1.0
  Au  Au3  4  0.0000  0.3825  0.2500  1.0
]