data_[Ba6In4Au8]
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 [C2/m]
_cell_length_a [12.5995]
_cell_length_b [4.8413]
_cell_length_c [9.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(InAu2)2]
_chemical_formula_sum '[Ba6 In4 Au8]'
_cell_volume [548.2591]
_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  0.1282  0.5000  0.6952  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1698  0.5000  0.3366  1.0
  Au  Au3  4  0.0949  0.0000  0.4180  1.0
  Au  Au4  4  0.2204  0.5000  0.0675  1.0
]