data_[V12P24O80]
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 [C222_1]
_cell_length_a [10.2912]
_cell_length_b [13.4302]
_cell_length_c [12.4138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [V3(P3O10)2]
_chemical_formula_sum '[V12 P24 O80]'
_cell_volume [1715.7399]
_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
[
  V  V0  4  0.0000  0.2382  0.7500  1
  V  V1  4  0.0000  0.2927  0.2500  1
  V  V2  4  0.1436  0.0000  0.5000  1
  P  P3  8  0.0542  0.2033  0.0157  1
  P  P4  8  0.2312  0.1369  0.1807  1
  P  P5  8  0.2429  0.0613  0.7235  1
  O  O6  8  0.0178  0.2884  0.0929  1
  O  O7  8  0.0374  0.1139  0.4715  1
  O  O8  8  0.0753  0.2376  0.9021  1
  O  O9  8  0.1278  0.3456  0.7019  1
  O  O10  8  0.1307  0.1321  0.7111  1
  O  O11  8  0.1316  0.3935  0.2667  1
  O  O12  8  0.1354  0.1899  0.2549  1
  O  O13  8  0.1966  0.1634  0.0581  1
  O  O14  8  0.2007  0.0201  0.1852  1
  O  O15  8  0.2345  0.4964  0.1182  1
]