data_[Ba3Nb6V6O33]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6463]
_cell_length_b [5.6463]
_cell_length_c [28.6838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaNb2V2O11]
_chemical_formula_sum '[Ba3 Nb6 V6 O33]'
_cell_volume [791.9368]
_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  0.0000  1.0
  Nb  Nb1  6  0.0000  0.0000  0.1306  1.0
  V  V2  6  0.0000  0.0000  0.3985  1.0
  O  O3  18  0.0114  0.5057  0.7499  1.0
  O  O4  9  0.0000  0.5000  0.5000  1.0
  O  O5  6  0.0000  0.0000  0.3401  1.0
]