data_[V8P8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [12.5801]
_cell_length_b [6.2349]
_cell_length_c [10.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [VPO5]
_chemical_formula_sum '[V8 P8 O40]'
_cell_volume [832.5934]
_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  4  0.1157  0.0006  0.4970  1
  V  V1  4  0.2498  0.7733  0.7535  1
  P  P2  4  0.0030  0.8372  0.7596  1
  P  P3  4  0.1861  0.4959  0.5177  1
  O  O4  4  0.0068  0.0236  0.3834  1
  O  O5  4  0.0134  0.9805  0.6449  1
  O  O6  4  0.0977  0.3050  0.2497  1
  O  O7  4  0.1031  0.6962  0.7815  1
  O  O8  4  0.1142  0.6932  0.4936  1
  O  O9  4  0.1143  0.2999  0.5442  1
  O  O10  4  0.2158  0.0368  0.3964  1
  O  O11  4  0.2212  0.9588  0.6464  1
  O  O12  4  0.2425  0.0418  0.1345  1
  O  O13  4  0.2437  0.9539  0.9005  1
]