data_[Li12Bi4Au8]
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 [Cmcm]
_cell_length_a [4.8946]
_cell_length_b [15.4285]
_cell_length_c [5.8557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3BiAu2]
_chemical_formula_sum '[Li12 Bi4 Au8]'
_cell_volume [442.2030]
_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  0.3500  0.0313  1.0
  Li  Li1  4  0.0000  0.0427  0.7500  1.0
  Bi  Bi2  4  0.0000  0.1597  0.2500  1.0
  Au  Au3  4  0.0000  0.2104  0.7500  1.0
  Au  Au4  4  0.0000  0.4892  0.7500  1.0
]