data_[Nb1V3O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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-4m2]
_cell_length_a [6.7164]
_cell_length_b [6.7164]
_cell_length_c [4.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [NbV3O10]
_chemical_formula_sum '[Nb1 V3 O10]'
_cell_volume [203.5125]
_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
[
  Nb  Nb0  1  0.5000  0.5000  0.5000  1.0
  V  V1  2  0.0000  0.5000  0.3660  1.0
  V  V2  1  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0000  0.2177  0.2876  1.0
  O  O4  4  0.2720  0.5000  0.2615  1.0
  O  O5  2  0.0000  0.5000  0.7254  1.0
]