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 [I4/m]
_cell_length_a [6.2437]
_cell_length_b [6.2437]
_cell_length_c [9.0827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba3WO6]
_chemical_formula_sum '[Ba6 W2 O12]'
_cell_volume [354.0836]
_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  0.0000  0.5000  0.2500  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1386  0.2828  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2827  1.0
]