data_[V6P8O32]
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 [8.3114]
_cell_length_b [5.1101]
_cell_length_c [15.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V3(PO4)4]
_chemical_formula_sum '[V6 P8 O32]'
_cell_volume [604.5900]
_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  0.1806  0.1132  0.1970  1
  V  V1  2  0.5000  0.0000  0.5000  1
  P  P2  4  0.0732  0.0846  0.3799  1
  P  P3  4  0.4732  0.5006  0.3559  1
  O  O4  4  0.0212  0.1705  0.6089  1
  O  O5  4  0.0415  0.6788  0.6251  1
  O  O6  4  0.0944  0.0503  0.2853  1
  O  O7  4  0.2523  0.0997  0.4631  1
  O  O8  4  0.3101  0.0853  0.7690  1
  O  O9  4  0.3678  0.0177  0.1742  1
  O  O10  4  0.4393  0.7300  0.8877  1
  O  O11  4  0.4709  0.7083  0.5660  1
]