# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12364749
_cell_length_b   8.12376903
_cell_length_c   9.34208301
_cell_angle_alpha   74.12812126
_cell_angle_beta   74.13004769
_cell_angle_gamma   104.44214282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   534.25644215
_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  0.17844000  0.92843800  0.10392700  1
  Li  Li1  1  0.67842700  0.42843100  0.10391500  1
  Li  Li2  1  0.32155800  0.57156200  0.89607400  1
  Li  Li3  1  0.82157200  0.07157000  0.89608600  1
  Li  Li4  1  0.26131500  0.27717700  0.72529000  1
  Li  Li5  1  0.76131300  0.77716800  0.72527600  1
  Li  Li6  1  0.23868500  0.22282500  0.27470900  1
  Li  Li7  1  0.73868700  0.72283300  0.27472400  1
  Li  Li8  1  0.02717800  0.51130800  0.72528400  1
  Li  Li9  1  0.52716700  0.01132200  0.72528200  1
  Li  Li10  1  0.47282300  0.98869300  0.27471600  1
  Li  Li11  1  0.97283400  0.48867900  0.27471700  1
  Ni  Ni12  1  0.31267100  0.56269800  0.33249800  1
  Ni  Ni13  1  0.18733600  0.93729400  0.66750300  1
  Ni  Ni14  1  0.81291900  0.06289500  0.33271600  1
  Ni  Ni15  1  0.68709100  0.43710000  0.66727100  1
  P  P16  1  0.05400200  0.80400200  0.41362200  1
  P  P17  1  0.55399800  0.30399400  0.41362000  1
  P  P18  1  0.44599900  0.69599900  0.58637900  1
  P  P19  1  0.94600200  0.19600700  0.58638100  1
  C  C20  1  0.51184600  0.76184500  0.04185700  1
  C  C21  1  0.01183300  0.26183400  0.04184900  1
  C  C22  1  0.98815300  0.73815500  0.95814400  1
  C  C23  1  0.48816800  0.23816700  0.95815200  1
  O  O24  1  0.58252400  0.83251600  0.42034000  1
  O  O25  1  0.08249200  0.33250000  0.42031600  1
  O  O26  1  0.91747600  0.66748300  0.57966100  1
  O  O27  1  0.41750800  0.16750000  0.57968400  1
  O  O28  1  0.37127400  0.62126500  0.07305300  1
  O  O29  1  0.87126600  0.12127800  0.07303500  1
  O  O30  1  0.12872500  0.87873500  0.92694600  1
  O  O31  1  0.62873500  0.37872200  0.92696400  1
  O  O32  1  0.95691600  0.70690900  0.83617800  1
  O  O33  1  0.45693700  0.20694300  0.83616500  1
  O  O34  1  0.54308300  0.79308900  0.16382400  1
  O  O35  1  0.04306200  0.29305700  0.16383600  1
  O  O36  1  0.20008600  0.95009300  0.43707100  1
  O  O37  1  0.70006300  0.45005500  0.43709600  1
  O  O38  1  0.29991400  0.54990800  0.56292900  1
  O  O39  1  0.79993600  0.04994500  0.56290500  1
  O  O40  1  0.11846500  0.36845900  0.89676100  1
  O  O41  1  0.61845200  0.86845900  0.89676300  1
  O  O42  1  0.38153500  0.13154300  0.10324000  1
  O  O43  1  0.88154800  0.63154200  0.10323800  1
  O  O44  1  0.35124000  0.78895900  0.69238000  1
  O  O45  1  0.85122200  0.28896300  0.69235700  1
  O  O46  1  0.53896800  0.60121700  0.69236300  1
  O  O47  1  0.03895200  0.10123700  0.69237800  1
  O  O48  1  0.14876000  0.71104100  0.30762100  1
  O  O49  1  0.64877900  0.21103700  0.30764400  1
  O  O50  1  0.96103100  0.89878400  0.30763800  1
  O  O51  1  0.46104800  0.39876400  0.30762300  1
