data_[Nb2P2H2O10]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4376]
_cell_length_b [5.4390]
_cell_length_c [7.7387]
_cell_angle_alpha [105.6488]
_cell_angle_beta [109.1598]
_cell_angle_gamma [98.3421]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbPHO5]
_chemical_formula_sum '[Nb2 P2 H2 O10]'
_cell_volume [201.1975]
_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
[
  Nb  Nb0  1  0.0000  0.0000  0.0000  1.0
  Nb  Nb1  1  0.5000  0.5000  0.5000  1.0
  P  P2  2  0.1057  0.4327  0.7692  1.0
  H  H3  2  0.3284  0.9765  0.3231  1.0
  O  O4  2  0.1741  0.7315  0.8864  1.0
  O  O5  2  0.1807  0.2772  0.9089  1.0
  O  O6  2  0.2019  0.6679  0.3599  1.0
  O  O7  2  0.2681  0.3940  0.6379  1.0
  O  O8  2  0.3199  0.1286  0.2759  1.0
]