# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56002616
_cell_length_b   7.56002616
_cell_length_c   10.95965048
_cell_angle_alpha   88.74569287
_cell_angle_beta   88.74569287
_cell_angle_gamma   117.14953217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   556.88010858
_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  0.71891700  0.29510500  0.99824000  1
  Li  Li1  1  0.29510500  0.71891700  0.49824000  1
  Li  Li2  1  0.71573700  0.28426300  0.75000000  1
  Li  Li3  1  0.29332000  0.70668000  0.75000000  1
  Li  Li4  1  0.70668000  0.29332000  0.25000000  1
  Li  Li5  1  0.28426300  0.71573700  0.25000000  1
  Li  Li6  1  0.70489500  0.28108300  0.50176000  1
  Li  Li7  1  0.28108300  0.70489500  0.00176000  1
  Ni  Ni8  1  0.69702700  0.69592300  0.88708400  1
  Ni  Ni9  1  0.69592300  0.69702700  0.38708400  1
  Ni  Ni10  1  0.30407700  0.30297300  0.61291600  1
  Ni  Ni11  1  0.30297300  0.30407700  0.11291600  1
  P  P12  1  0.70283600  0.91480600  0.63229900  1
  P  P13  1  0.91480600  0.70283600  0.13229900  1
  P  P14  1  0.90934100  0.68173400  0.63395200  1
  P  P15  1  0.68173400  0.90934100  0.13395200  1
  P  P16  1  0.31826600  0.09065900  0.86604800  1
  P  P17  1  0.09065900  0.31826600  0.36604800  1
  P  P18  1  0.08519400  0.29716400  0.86770100  1
  P  P19  1  0.29716400  0.08519400  0.36770100  1
  O  O20  1  0.91364500  0.90142100  0.62744100  1
  O  O21  1  0.90142100  0.91364500  0.12744100  1
  O  O22  1  0.58542600  0.80318300  0.52050100  1
  O  O23  1  0.80318300  0.58542600  0.02050100  1
  O  O24  1  0.80224700  0.57951300  0.75654300  1
  O  O25  1  0.57951300  0.80224700  0.25654300  1
  O  O26  1  0.59185900  0.80297600  0.75185800  1
  O  O27  1  0.80297600  0.59185900  0.25185800  1
  O  O28  1  0.78194900  0.56888700  0.52542600  1
  O  O29  1  0.56888700  0.78194900  0.02542600  1
  O  O30  1  0.28149900  0.87815000  0.87360100  1
  O  O31  1  0.87815000  0.28149900  0.37360100  1
  O  O32  1  0.86748800  0.24237500  0.87363700  1
  O  O33  1  0.24237500  0.86748800  0.37363700  1
  O  O34  1  0.75762500  0.13251200  0.62636300  1
  O  O35  1  0.13251200  0.75762500  0.12636300  1
  O  O36  1  0.12185000  0.71850100  0.62639900  1
  O  O37  1  0.71850100  0.12185000  0.12639900  1
  O  O38  1  0.43111300  0.21805100  0.97457400  1
  O  O39  1  0.21805100  0.43111300  0.47457400  1
  O  O40  1  0.19702400  0.40814100  0.74814200  1
  O  O41  1  0.40814100  0.19702400  0.24814200  1
  O  O42  1  0.42048700  0.19775300  0.74345700  1
  O  O43  1  0.19775300  0.42048700  0.24345700  1
  O  O44  1  0.19681700  0.41457400  0.97949900  1
  O  O45  1  0.41457400  0.19681700  0.47949900  1
  O  O46  1  0.09857900  0.08635500  0.87255900  1
  O  O47  1  0.08635500  0.09857900  0.37255900  1
