data_[Ba4Li6Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9610]
_cell_length_b [4.4619]
_cell_length_c [8.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li3Au2]
_chemical_formula_sum '[Ba4 Li6 Au4]'
_cell_volume [392.7912]
_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  0.1293  0.0000  0.7712  1.0
  Li  Li1  4  0.1634  0.5000  0.4225  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  4  0.1496  0.0000  0.2142  1.0
]