# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12301621
_cell_length_b   8.30546700
_cell_length_c   9.78598854
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.13180746
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li4 Ni4 P8 O28'
_cell_volume   543.56761046
_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
  Li  Li0  1  0.17758700  0.62595300  0.74384600  1
  Li  Li1  1  0.17758800  0.87404700  0.24384500  1
  Li  Li2  1  0.82241300  0.12595300  0.75615400  1
  Li  Li3  1  0.82241300  0.37404700  0.25615500  1
  Ni  Ni4  1  0.22744300  0.99897100  0.75023500  1
  Ni  Ni5  1  0.22744200  0.50102900  0.25023500  1
  Ni  Ni6  1  0.77255800  0.49897100  0.74976400  1
  Ni  Ni7  1  0.77255700  0.00102900  0.24976400  1
  P  P8  1  0.80918800  0.68858300  0.05917200  1
  P  P9  1  0.80918800  0.81141600  0.55917300  1
  P  P10  1  0.40259300  0.78002400  0.05546000  1
  P  P11  1  0.59740600  0.28002300  0.44454000  1
  P  P12  1  0.19081300  0.31141700  0.94082800  1
  P  P13  1  0.19081200  0.18858300  0.44082800  1
  P  P14  1  0.40259400  0.71997700  0.55546000  1
  P  P15  1  0.59740700  0.21997700  0.94454000  1
  O  O16  1  0.27484400  0.81278700  0.62667100  1
  O  O17  1  0.88228200  0.85404700  0.12475500  1
  O  O18  1  0.92377800  0.94859300  0.65871100  1
  O  O19  1  0.80675200  0.82752300  0.40449000  1
  O  O20  1  0.07622300  0.44859300  0.84129000  1
  O  O21  1  0.11771700  0.14595300  0.87524400  1
  O  O22  1  0.07622300  0.05140700  0.34129000  1
  O  O23  1  0.19324800  0.17247700  0.59550900  1
  O  O24  1  0.27995600  0.80349100  0.89435700  1
  O  O25  1  0.11771700  0.35404700  0.37524500  1
  O  O26  1  0.41481500  0.33779800  0.93766600  1
  O  O27  1  0.92377700  0.55140700  0.15871000  1
  O  O28  1  0.19324700  0.32752300  0.09550900  1
  O  O29  1  0.51976900  0.06689800  0.85726000  1
  O  O30  1  0.27995600  0.69650900  0.39435700  1
  O  O31  1  0.48023000  0.56689800  0.64274000  1
  O  O32  1  0.41481500  0.16220200  0.43766500  1
  O  O33  1  0.27484400  0.68721400  0.12667200  1
  O  O34  1  0.72004400  0.19650900  0.10564200  1
  O  O35  1  0.58518500  0.83779800  0.56233500  1
  O  O36  1  0.51977000  0.43310100  0.35726000  1
  O  O37  1  0.72004300  0.30349100  0.60564200  1
  O  O38  1  0.48023100  0.93310100  0.14274000  1
  O  O39  1  0.80675300  0.67247700  0.90449100  1
  O  O40  1  0.72515500  0.18721300  0.37332800  1
  O  O41  1  0.58518400  0.66220200  0.06233500  1
  O  O42  1  0.88228300  0.64595300  0.62475500  1
  O  O43  1  0.72515600  0.31278700  0.87332900  1
