data_[Ba12Fe6W6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9485]
_cell_length_b [5.9485]
_cell_length_c [28.7834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2FeWO6]
_chemical_formula_sum '[Ba12 Fe6 W6 O36]'
_cell_volume [882.0254]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1286  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2823  1.0
  Fe  Fe2  6  0.0000  0.0000  0.4055  1.0
  W  W3  3  -0.0000  -0.0000  0.5000  1.0
  W  W4  3  0.0000  0.0000  0.0000  1.0
  O  O5  18  0.0225  0.5113  0.7057  1.0
  O  O6  18  0.0230  0.5115  0.1268  1.0
]