data_[Ba2Os1Au1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0833]
_cell_length_b [6.2673]
_cell_length_c [6.3529]
_cell_angle_alpha [107.0164]
_cell_angle_beta [109.7336]
_cell_angle_gamma [109.0357]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2OsAuO6]
_chemical_formula_sum '[Ba2 Os1 Au1 O6]'
_cell_volume [192.1716]
_cell_formula_units_Z [1]
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  0.4927  0.2044  0.7879  1.0
  Os  Os1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  1  0.0000  0.5000  0.5000  1.0
  O  O3  2  0.1533  0.8186  0.8240  1.0
  O  O4  2  0.2271  0.0214  0.3000  1.0
  O  O5  2  0.2591  0.3057  0.0599  1.0
]