# generated using pymatgen
data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51318900
_cell_length_b   6.51318900
_cell_length_c   4.21344200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPO5
_chemical_formula_sum   'Nb2 P2 O10'
_cell_volume   178.74108155
_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  0.00000000  0.22349100  1.0
  Nb  Nb1  1  0.00000000  0.50000000  0.77650900  1.0
  P  P2  1  0.00000000  0.00000000  0.50000000  1.0
  P  P3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.00000000  0.80653600  0.71023300  1.0
  O  O5  1  0.00000000  0.19346400  0.71023300  1.0
  O  O6  1  0.00000000  0.50000000  0.19964600  1.0
  O  O7  1  0.50000000  0.00000000  0.80035400  1.0
  O  O8  1  0.69346400  0.50000000  0.71023300  1.0
  O  O9  1  0.30653600  0.50000000  0.71023300  1.0
  O  O10  1  0.19346400  0.00000000  0.28976700  1.0
  O  O11  1  0.50000000  0.30653600  0.28976700  1.0
  O  O12  1  0.50000000  0.69346400  0.28976700  1.0
  O  O13  1  0.80653600  0.00000000  0.28976700  1.0