data_[V16O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.1151]
_cell_length_b [20.0869]
_cell_length_c [5.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [V2O5]
_chemical_formula_sum '[V16 O40]'
_cell_volume [1178.0171]
_cell_formula_units_Z [8]
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
[
  V  V0  16  0.0600  0.4215  0.9843  1.0
  O  O1  16  0.0773  0.1333  0.5337  1.0
  O  O2  16  0.1149  0.1845  0.9756  1.0
  O  O3  8  0.0000  0.0000  0.3756  1.0
]