data_[Ba14Au8O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5854]
_cell_length_b [5.5776]
_cell_length_c [12.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba7Au4O]
_chemical_formula_sum '[Ba14 Au8 O2]'
_cell_volume [921.0099]
_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  0.0647  0.0000  0.2495  1.0
  Ba  Ba1  4  0.1361  0.5000  0.5495  1.0
  Ba  Ba2  4  0.2135  0.0000  0.8510  1.0
  Ba  Ba3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.0831  0.5000  0.7887  1.0
  Au  Au5  4  0.2233  0.5000  0.3581  1.0
  O  O6  2  0.0000  0.0000  0.0000  1.0
]