data_[Li16Bi2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2620]
_cell_length_b [4.4719]
_cell_length_c [7.0484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8BiAu2]
_chemical_formula_sum '[Li16 Bi2 Au4]'
_cell_volume [390.9369]
_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  0.0067  0.0000  0.3087  1.0
  Li  Li1  4  0.1520  0.5000  0.8579  1.0
  Li  Li2  4  0.1552  0.0000  0.1385  1.0
  Li  Li3  4  0.1623  0.5000  0.4478  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1940  0.0000  0.7034  1.0
]