data_[Ba6Nb9Co3O36]
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
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4084]
_cell_length_b [7.4084]
_cell_length_c [17.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Nb3CoO12]
_chemical_formula_sum '[Ba6 Nb9 Co3 O36]'
_cell_volume [821.5857]
_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  6  0.0000  0.0000  0.3401  1
  Nb  Nb1  9  0.0000  0.5000  0.5000  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0810  0.5405  0.8675  1
  O  O4  18  0.0928  0.5464  0.6087  1
]