data_[Nb4V4O14]
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 [C2/m]
_cell_length_a [6.3597]
_cell_length_b [8.2434]
_cell_length_c [5.7654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2V2O7]
_chemical_formula_sum '[Nb4 V4 O14]'
_cell_volume [298.5103]
_cell_formula_units_Z [2]
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  4  0.0000  0.3298  0.0000  1
  V  V1  4  0.2442  0.5000  0.5974  1
  O  O2  8  0.2355  0.1842  0.1807  1
  O  O3  4  0.0680  0.5000  0.2767  1
  O  O4  2  0.0000  0.0000  0.5000  1
]