data_[Ba12Nb6W3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.8723]
_cell_length_b [5.8723]
_cell_length_c [28.6146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba4Nb2WO12]
_chemical_formula_sum '[Ba12 Nb6 W3 O36]'
_cell_volume [854.5516]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1346  1.0
  Ba  Ba1  3  0.0000  0.0000  0.2881  1.0
  Ba  Ba2  3  0.0000  0.0000  0.7109  1.0
  Ba  Ba3  3  0.0000  0.0000  0.8647  1.0
  Nb  Nb4  3  0.0000  0.0000  0.5762  1.0
  Nb  Nb5  3  0.0000  0.0000  0.9985  1.0
  W  W6  3  0.0000  0.0000  0.4200  1.0
  O  O7  9  0.0158  0.5079  0.1193  1.0
  O  O8  9  0.1693  0.3385  0.0418  1.0
  O  O9  9  0.1694  0.3388  0.2131  1.0
  O  O10  9  0.1703  0.3407  0.6282  1.0
]