# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99683946
_cell_length_b   13.44325845
_cell_length_c   8.27971600
_cell_angle_alpha   89.99948495
_cell_angle_beta   89.99924898
_cell_angle_gamma   91.42935294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   556.00696229
_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  0.34426400  0.17473900  0.14519900  1
  Li  Li1  1  0.84426700  0.67473200  0.14527300  1
  Li  Li2  1  0.15569000  0.32526800  0.64517400  1
  Li  Li3  1  0.65569500  0.82525400  0.64524700  1
  Li  Li4  1  0.69934500  0.04190500  0.32018700  1
  Li  Li5  1  0.19928700  0.54189000  0.32018400  1
  Li  Li6  1  0.80055800  0.45809700  0.82016900  1
  Li  Li7  1  0.30069600  0.95809300  0.82019500  1
  Ni  Ni8  1  0.84273900  0.63958300  0.50419300  1
  Ni  Ni9  1  0.65740700  0.86034500  0.00413900  1
  Ni  Ni10  1  0.34303700  0.13953900  0.50400000  1
  Ni  Ni11  1  0.15670400  0.36048400  0.00391000  1
  P  P12  1  0.63039400  0.24140300  0.81476800  1
  P  P13  1  0.13054200  0.74139100  0.81476800  1
  P  P14  1  0.86959000  0.25860100  0.31472800  1
  P  P15  1  0.36952300  0.75860600  0.31474800  1
  P  P16  1  0.67149000  0.45653800  0.20813500  1
  P  P17  1  0.17160600  0.95653400  0.20803900  1
  P  P18  1  0.82844800  0.04345200  0.70812700  1
  P  P19  1  0.32839100  0.54347400  0.70805200  1
  O  O20  1  0.13004500  0.05775000  0.68072800  1
  O  O21  1  0.63004200  0.55776800  0.68067600  1
  O  O22  1  0.36992100  0.44225600  0.18071400  1
  O  O23  1  0.86995800  0.94223000  0.18066800  1
  O  O24  1  0.23255600  0.05417300  0.29886500  1
  O  O25  1  0.73251100  0.55419000  0.29889400  1
  O  O26  1  0.26748100  0.44582300  0.79883600  1
  O  O27  1  0.76753200  0.94579900  0.79887500  1
  O  O28  1  0.45286800  0.25729200  0.96236300  1
  O  O29  1  0.95295200  0.75724900  0.96236200  1
  O  O30  1  0.04709300  0.24271800  0.46235400  1
  O  O31  1  0.54705300  0.74272300  0.46234500  1
  O  O32  1  0.47738600  0.24802900  0.65575000  1
  O  O33  1  0.97748800  0.74806200  0.65577400  1
  O  O34  1  0.02278300  0.25206300  0.15572500  1
  O  O35  1  0.52272400  0.75196700  0.15574000  1
  O  O36  1  0.62009700  0.18915300  0.31230800  1
  O  O37  1  0.12011400  0.68913800  0.31233700  1
  O  O38  1  0.87990200  0.31084500  0.81231400  1
  O  O39  1  0.37997000  0.81083900  0.81234300  1
  O  O40  1  0.66157500  0.04782700  0.55338100  1
  O  O41  1  0.16160500  0.54778500  0.55325300  1
  O  O42  1  0.83834000  0.45219600  0.05337100  1
  O  O43  1  0.33837500  0.95220000  0.05324100  1
  O  O44  1  0.73064000  0.12798700  0.83355500  1
  O  O45  1  0.23059200  0.62797600  0.83354800  1
  O  O46  1  0.76931500  0.37200800  0.33357300  1
  O  O47  1  0.26941500  0.87202600  0.33354800  1
