data_[Ba12In4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0621]
_cell_length_b [9.2716]
_cell_length_c [14.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6In2Au]
_chemical_formula_sum '[Ba12 In4 Au2]'
_cell_volume [885.8245]
_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  0.1166  0.0329  0.2419  1
  Ba  Ba1  4  0.2274  0.6758  0.0650  1
  Ba  Ba2  4  0.3947  0.1809  0.0632  1
  In  In3  4  0.2976  0.1114  0.7541  1
  Au  Au4  2  0.5000  0.0000  0.5000  1
]