data_[Ba4Li2Bi2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [13.6962]
_cell_length_b [5.6025]
_cell_length_c [9.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2LiBiAu6]
_chemical_formula_sum '[Ba4 Li2 Bi2 Au12]'
_cell_volume [540.8792]
_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
[
  Ba  Ba0  4  0.2470  0.5000  0.2858  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.0001  0.2504  0.7275  1
  Au  Au4  4  0.2428  0.5000  0.9074  1
]