# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34724052
_cell_length_b   6.34701728
_cell_length_c   13.28883271
_cell_angle_alpha   78.84433109
_cell_angle_beta   77.93444427
_cell_angle_gamma   99.05569491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li4 Ni4 P8 O28'
_cell_volume   502.59772511
_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  0.41711000  0.01985700  0.34622200  1
  Li  Li1  1  0.13391700  0.23637700  0.84631700  1
  Li  Li2  1  0.86608300  0.76362300  0.15368300  1
  Li  Li3  1  0.58289100  0.98014300  0.65377800  1
  Ni  Ni4  1  0.22794800  0.60038300  0.64147100  1
  Ni  Ni5  1  0.74182600  0.86949700  0.85851900  1
  Ni  Ni6  1  0.25817400  0.13050300  0.14148100  1
  Ni  Ni7  1  0.77205200  0.39961700  0.35852900  1
  P  P8  1  0.77184800  0.25037700  0.13603400  1
  P  P9  1  0.65508900  0.32820200  0.92844300  1
  P  P10  1  0.75659400  0.58345200  0.57152700  1
  P  P11  1  0.11359800  0.09215000  0.63606500  1
  P  P12  1  0.22815100  0.74962300  0.86396600  1
  P  P13  1  0.34491200  0.67179800  0.07155700  1
  P  P14  1  0.88640200  0.90785000  0.36393500  1
  P  P15  1  0.24340600  0.41654800  0.42847300  1
  O  O16  1  0.29736600  0.60997600  0.47792800  1
  O  O17  1  0.72773200  0.06509900  0.37821100  1
  O  O18  1  0.78942100  0.18645500  0.87175200  1
  O  O19  1  0.54300800  0.10037700  0.18476700  1
  O  O20  1  0.05657000  0.89393300  0.87827000  1
  O  O21  1  0.27226800  0.93490100  0.62178900  1
  O  O22  1  0.21057800  0.81354500  0.12824800  1
  O  O23  1  0.45699200  0.89962300  0.81523300  1
  O  O24  1  0.17485900  0.56908600  0.80696000  1
  O  O25  1  0.09820600  0.46042100  0.35088200  1
  O  O26  1  0.22814000  0.61679400  0.98028400  1
  O  O27  1  0.94343000  0.10606700  0.12173000  1
  O  O28  1  0.58778500  0.77518000  0.02212000  1
  O  O29  1  0.31121800  0.44902700  0.14917500  1
  O  O30  1  0.09717400  0.20846300  0.51973500  1
  O  O31  1  0.55819700  0.66100200  0.62830300  1
  O  O32  1  0.87608000  0.98188400  0.69303200  1
  O  O33  1  0.21486400  0.27226700  0.68479700  1
  O  O34  1  0.82514000  0.43091400  0.19304000  1
  O  O35  1  0.12392000  0.01811600  0.30696800  1
  O  O36  1  0.44180300  0.33899800  0.37169700  1
  O  O37  1  0.90282700  0.79153700  0.48026500  1
  O  O38  1  0.68878200  0.55097400  0.85082500  1
  O  O39  1  0.41221400  0.22482000  0.97788000  1
  O  O40  1  0.70263400  0.39002400  0.52207200  1
  O  O41  1  0.77186000  0.38320700  0.01971600  1
  O  O42  1  0.90179400  0.53957900  0.64911800  1
  O  O43  1  0.78513600  0.72773300  0.31520300  1
