data_[Ba6Ag2Au2]
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 [P-1]
_cell_length_a [6.7522]
_cell_length_b [8.0868]
_cell_length_c [9.0623]
_cell_angle_alpha [97.6197]
_cell_angle_beta [99.8631]
_cell_angle_gamma [113.6527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba3AgAu]
_chemical_formula_sum '[Ba6 Ag2 Au2]'
_cell_volume [435.3143]
_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  2  0.0183  0.9669  0.2317  1.0
  Ba  Ba1  2  0.2849  0.6544  0.8661  1.0
  Ba  Ba2  2  0.4298  0.6896  0.3888  1.0
  Ag  Ag3  2  0.0396  0.3313  0.5026  1.0
  Au  Au4  2  0.2061  0.3447  0.0937  1.0
]