data_[Ba8Ag4Au8]
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 [C2/m]
_cell_length_a [12.1064]
_cell_length_b [4.8014]
_cell_length_c [12.5526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AgAu2]
_chemical_formula_sum '[Ba8 Ag4 Au8]'
_cell_volume [639.7596]
_cell_formula_units_Z [4]
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  0.0856  0.0000  0.8938  1.0
  Ba  Ba1  4  0.1882  0.5000  0.6425  1.0
  Ag  Ag2  4  0.0899  0.5000  0.3213  1.0
  Au  Au3  4  0.0526  0.0000  0.4193  1.0
  Au  Au4  4  0.1302  0.5000  0.1121  1.0
]