data_[Ce3Nb3V6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R3]
_cell_length_a [5.4911]
_cell_length_b [5.4911]
_cell_length_c [14.8457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeNbV2O6]
_chemical_formula_sum '[Ce3 Nb3 V6 O18]'
_cell_volume [387.6635]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.8019  1.0
  Nb  Nb1  3  0.0000  0.0000  0.3143  1.0
  V  V2  3  0.0000  0.0000  0.0128  1.0
  V  V3  3  0.0000  0.0000  0.5167  1.0
  O  O4  9  0.0020  0.3469  0.5906  1.0
  O  O5  9  0.0697  0.6991  0.0809  1.0
]