data_[Ba16Au2O4]
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 [15.5332]
_cell_length_b [9.7126]
_cell_length_c [7.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8AuO2]
_chemical_formula_sum '[Ba16 Au2 O4]'
_cell_volume [1144.5709]
_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  8  0.1058  0.2141  0.7610  1
  Ba  Ba1  4  0.1620  0.5000  0.2579  1
  Ba  Ba2  4  0.1622  0.0000  0.3088  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1814  0.0000  0.6487  1
]