# generated using pymatgen
data_NbPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36730300
_cell_length_b   5.45087127
_cell_length_c   7.70121982
_cell_angle_alpha   109.69824862
_cell_angle_beta   105.62564922
_cell_angle_gamma   97.42068858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPHO5
_chemical_formula_sum   'Nb2 P2 H2 O10'
_cell_volume   198.18418645
_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  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.00000000  1.0
  P  P2  1  0.09983100  0.41999000  0.22823200  1.0
  P  P3  1  0.90016900  0.58001000  0.77176800  1.0
  H  H4  1  0.30305100  0.64303000  0.33392300  1.0
  H  H5  1  0.69694900  0.35697000  0.66607700  1.0
  O  O6  1  0.44231600  0.25046400  0.71840000  1.0
  O  O7  1  0.90291000  0.42452900  0.37573100  1.0
  O  O8  1  0.06425500  0.98872600  0.65895700  1.0
  O  O9  1  0.54699800  0.67578300  0.07694500  1.0
  O  O10  1  0.00732100  0.56712800  0.12179300  1.0
  O  O11  1  0.99267900  0.43287200  0.87820700  1.0
  O  O12  1  0.45300200  0.32421700  0.92305500  1.0
  O  O13  1  0.93574500  0.01127400  0.34104300  1.0
  O  O14  1  0.09709000  0.57547100  0.62426900  1.0
  O  O15  1  0.55768400  0.74953600  0.28160000  1.0