data_[V10P12O44]
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 [P2_1/c]
_cell_length_a [12.8974]
_cell_length_b [6.6675]
_cell_length_c [10.4652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V5(P3O11)2]
_chemical_formula_sum '[V10 P12 O44]'
_cell_volume [872.8375]
_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
[
  V  V0  4  0.1364  0.7498  0.7880  1
  V  V1  4  0.3363  0.5117  0.3029  1
  V  V2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.0876  0.2415  0.2756  1
  P  P4  4  0.2589  0.6092  0.5738  1
  P  P5  4  0.4177  0.2029  0.0911  1
  O  O6  4  0.0006  0.7102  0.3605  1
  O  O7  4  0.0046  0.2094  0.8613  1
  O  O8  4  0.1484  0.0506  0.3221  1
  O  O9  4  0.1601  0.0763  0.7683  1
  O  O10  4  0.1631  0.0289  0.0514  1
  O  O11  4  0.2486  0.7249  0.1730  1
  O  O12  4  0.2740  0.6901  0.4402  1
  O  O13  4  0.3664  0.0027  0.1431  1
  O  O14  4  0.3721  0.1192  0.6500  1
  O  O15  4  0.3852  0.1998  0.9411  1
  O  O16  4  0.4620  0.6804  0.3516  1
]