data_[Li8Sn8Au4]
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 [I4_1/amd]
_cell_length_a [4.6440]
_cell_length_b [4.6440]
_cell_length_c [19.8288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Li2Sn2Au]
_chemical_formula_sum '[Li8 Sn8 Au4]'
_cell_volume [427.6444]
_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  0.0000  0.0000  0.3254  1.0
  Sn  Sn1  8  0.0000  0.0000  0.1733  1.0
  Au  Au2  4  0.0000  0.0000  0.5000  1.0
]