data_[Ba6W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2292]
_cell_length_b [6.4019]
_cell_length_c [10.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3WO6]
_chemical_formula_sum '[Ba6 W2 O12]'
_cell_volume [354.7782]
_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  0.2409  0.0401  0.7527  1.0
  Ba  Ba1  2  0.5000  0.0000  0.5000  1.0
  W  W2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1084  0.2500  0.9406  1.0
  O  O4  4  0.2123  0.6748  0.4589  1.0
  O  O5  4  0.3012  0.0404  0.2096  1.0
]