data_[Ba12Ag2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9885]
_cell_length_b [8.5766]
_cell_length_c [13.9998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6AgAu2]
_chemical_formula_sum '[Ba12 Ag2 Au4]'
_cell_volume [836.5793]
_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  0.0972  0.1819  0.4287  1.0
  Ba  Ba1  4  0.2323  0.6744  0.4120  1.0
  Ba  Ba2  4  0.4257  0.0588  0.2507  1.0
  Ag  Ag3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.1705  0.1170  0.7253  1.0
]