data_[Nb4V4O20]
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 [Pnma]
_cell_length_a [11.9126]
_cell_length_b [5.5726]
_cell_length_c [6.9510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbVO5]
_chemical_formula_sum '[Nb4 V4 O20]'
_cell_volume [461.4368]
_cell_formula_units_Z [4]
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  0.0564  0.2500  0.3393  1
  V  V1  4  0.1573  0.7500  0.0282  1
  O  O2  8  0.1229  0.0036  0.1535  1
  O  O3  4  0.0000  0.0000  0.5000  1
  O  O4  4  0.0861  0.7500  0.8119  1
  O  O5  4  0.1999  0.2500  0.4836  1
]