data_[Nb8P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [8.9404]
_cell_length_b [8.8760]
_cell_length_c [15.3774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb2(PO4)3]
_chemical_formula_sum '[Nb8 P12 O48]'
_cell_volume [992.3689]
_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
[
  Nb  Nb0  4  0.1338  0.5304  0.3828  1
  Nb  Nb1  4  0.3664  0.5332  0.1157  1
  P  P2  4  0.0319  0.2490  0.0020  1
  P  P3  4  0.2489  0.6105  0.8562  1
  P  P4  4  0.4646  0.1083  0.8543  1
  O  O5  4  0.0213  0.1651  0.0847  1
  O  O6  4  0.0533  0.1436  0.9306  1
  O  O7  4  0.0945  0.5072  0.7743  1
  O  O8  4  0.1425  0.6542  0.0732  1
  O  O9  4  0.2000  0.7206  0.3362  1
  O  O10  4  0.2032  0.1473  0.5617  1
  O  O11  4  0.2900  0.0959  0.8501  1
  O  O12  4  0.3039  0.5685  0.9691  1
  O  O13  4  0.3639  0.5547  0.5406  1
  O  O14  4  0.4190  0.5865  0.8539  1
  O  O15  4  0.4386  0.0109  0.7620  1
  O  O16  4  0.4867  0.2242  0.3328  1
]