data_[Li2Sn8Au6]
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 [P6_3mc]
_cell_length_a [4.6162]
_cell_length_b [4.6162]
_cell_length_c [20.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [LiSn4Au3]
_chemical_formula_sum '[Li2 Sn8 Au6]'
_cell_volume [383.1948]
_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  0.3333  0.6667  0.7885  1.0
  Sn  Sn1  2  0.0000  0.0000  0.2030  1.0
  Sn  Sn2  2  0.0000  0.0000  0.4723  1.0
  Sn  Sn3  2  0.3333  0.6667  0.0932  1.0
  Sn  Sn4  2  0.3333  0.6667  0.3728  1.0
  Au  Au5  2  0.0000  0.0000  0.3358  1.0
  Au  Au6  2  0.3333  0.6667  0.5147  1.0
  Au  Au7  2  0.3333  0.6667  0.6555  1.0
]