data_[V8P12O48]
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 [8.3004]
_cell_length_b [8.4203]
_cell_length_c [14.0757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V2(PO4)3]
_chemical_formula_sum '[V8 P12 O48]'
_cell_volume [803.9307]
_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  0.1230  0.5335  0.3767  1
  V  V1  4  0.3718  0.5332  0.1172  1
  P  P2  4  0.0387  0.1172  0.6423  1
  P  P3  4  0.2500  0.6199  0.6493  1
  P  P4  4  0.4586  0.2461  0.9912  1
  O  O5  4  0.0420  0.2151  0.1862  1
  O  O6  4  0.0985  0.5090  0.2343  1
  O  O7  4  0.1133  0.5904  0.6869  1
  O  O8  4  0.1624  0.5771  0.5245  1
  O  O9  4  0.1747  0.5833  0.9627  1
  O  O10  4  0.1846  0.1100  0.6074  1
  O  O11  4  0.2620  0.1616  0.9384  1
  O  O12  4  0.3012  0.6993  0.1716  1
  O  O13  4  0.3666  0.6383  0.4301  1
  O  O14  4  0.4428  0.5216  0.7281  1
  O  O15  4  0.4616  0.1820  0.3908  1
  O  O16  4  0.4697  0.1199  0.5705  1
]