# generated using pymatgen
data_NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19452300
_cell_length_b   7.25523800
_cell_length_c   9.34331985
_cell_angle_alpha   71.14962355
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2O7
_chemical_formula_sum   'Ni4 P8 O28'
_cell_volume   525.69697687
_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
  Ni  Ni0  1  0.99436100  0.23041100  0.24794600  1.0
  Ni  Ni1  1  0.50563900  0.23041100  0.74794600  1.0
  Ni  Ni2  1  0.00563900  0.76958900  0.75205400  1.0
  Ni  Ni3  1  0.49436100  0.76958900  0.25205400  1.0
  P  P4  1  0.69791300  0.82903400  0.93765200  1.0
  P  P5  1  0.19791300  0.17096600  0.56234800  1.0
  P  P6  1  0.80208700  0.82903400  0.43765200  1.0
  P  P7  1  0.26278100  0.56760500  0.56078100  1.0
  P  P8  1  0.23721900  0.56760500  0.06078100  1.0
  P  P9  1  0.73721900  0.43239500  0.43921900  1.0
  P  P10  1  0.30208700  0.17096600  0.06234800  1.0
  P  P11  1  0.76278100  0.43239500  0.93921900  1.0
  O  O12  1  0.41475400  0.03722200  0.18161500  1.0
  O  O13  1  0.37985100  0.14306000  0.60028100  1.0
  O  O14  1  0.32052500  0.66015700  0.39753300  1.0
  O  O15  1  0.62014900  0.85694000  0.39971900  1.0
  O  O16  1  0.33099100  0.15931600  0.90352200  1.0
  O  O17  1  0.17947500  0.66015700  0.89753300  1.0
  O  O18  1  0.40407900  0.49151500  0.67295200  1.0
  O  O19  1  0.14759900  0.38600600  0.56314300  1.0
  O  O20  1  0.90407900  0.50848500  0.82704800  1.0
  O  O21  1  0.67947500  0.33984300  0.60246700  1.0
  O  O22  1  0.87985100  0.85694000  0.89971900  1.0
  O  O23  1  0.59592100  0.50848500  0.32704800  1.0
  O  O24  1  0.16900900  0.15931600  0.40352200  1.0
  O  O25  1  0.66900900  0.84068400  0.09647800  1.0
  O  O26  1  0.09592100  0.49151500  0.17295200  1.0
  O  O27  1  0.65422400  0.28560800  0.90131600  1.0
  O  O28  1  0.34577600  0.71439200  0.09868400  1.0
  O  O29  1  0.84577600  0.28560800  0.40131600  1.0
  O  O30  1  0.15422400  0.71439200  0.59868400  1.0
  O  O31  1  0.91475400  0.96277800  0.31838500  1.0
  O  O32  1  0.35240100  0.38600600  0.06314300  1.0
  O  O33  1  0.12014900  0.14306000  0.10028100  1.0
  O  O34  1  0.83099100  0.84068400  0.59647800  1.0
  O  O35  1  0.58524600  0.96277800  0.81838500  1.0
  O  O36  1  0.64759900  0.61399400  0.93685700  1.0
  O  O37  1  0.08524600  0.03722200  0.68161500  1.0
  O  O38  1  0.85240100  0.61399400  0.43685700  1.0
  O  O39  1  0.82052500  0.33984300  0.10246700  1.0