data_[Ce1Nb1V2O8]
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 [P-1]
_cell_length_a [5.0127]
_cell_length_b [5.4143]
_cell_length_c [6.1108]
_cell_angle_alpha [104.8163]
_cell_angle_beta [90.4523]
_cell_angle_gamma [105.6712]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeNbV2O8]
_chemical_formula_sum '[Ce1 Nb1 V2 O8]'
_cell_volume [153.8452]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Nb  Nb1  1  0.0000  0.0000  0.0000  1
  V  V2  2  0.2532  0.5171  0.8567  1
  O  O3  2  0.1451  0.7613  0.1589  1
  O  O4  2  0.1872  0.8106  0.7423  1
  O  O5  2  0.3032  0.3078  0.5911  1
  O  O6  2  0.3452  0.3000  0.0611  1
]