# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30364000
_cell_length_b   9.41734200
_cell_length_c   9.69346089
_cell_angle_alpha   65.26640581
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   522.64913598
_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  0.24280400  0.10873900  0.55595600  1
  Li  Li1  1  0.25719600  0.10873900  0.05595600  1
  Li  Li2  1  0.50129400  0.28189700  0.73687900  1
  Li  Li3  1  0.99870600  0.28189700  0.23687900  1
  Li  Li4  1  0.75003100  0.35712900  0.93384700  1
  Li  Li5  1  0.74996900  0.35712900  0.43384700  1
  Li  Li6  1  0.25003100  0.64287100  0.56615300  1
  Li  Li7  1  0.24996900  0.64287100  0.06615300  1
  Li  Li8  1  0.00129400  0.71810300  0.76312100  1
  Li  Li9  1  0.49870600  0.71810300  0.26312100  1
  Li  Li10  1  0.74280400  0.89126100  0.94404400  1
  Li  Li11  1  0.75719600  0.89126100  0.44404400  1
  Ni  Ni12  1  0.00505200  0.26747100  0.73931700  1
  Ni  Ni13  1  0.49494800  0.26747100  0.23931700  1
  Ni  Ni14  1  0.50505200  0.73252900  0.76068300  1
  Ni  Ni15  1  0.99494800  0.73252900  0.26068300  1
  P  P16  1  0.26114600  0.40730700  0.93463500  1
  P  P17  1  0.23885400  0.40730700  0.43463500  1
  P  P18  1  0.76114600  0.59269300  0.56536500  1
  P  P19  1  0.73885400  0.59269300  0.06536500  1
  C  C20  1  0.74462100  0.04029600  0.63084800  1
  C  C21  1  0.75537900  0.04029600  0.13084800  1
  C  C22  1  0.24462100  0.95970400  0.86915200  1
  C  C23  1  0.25537900  0.95970400  0.36915200  1
  O  O24  1  0.76733800  0.06485400  0.99189600  1
  O  O25  1  0.73266200  0.06485400  0.49189600  1
  O  O26  1  0.23409700  0.10371900  0.76114300  1
  O  O27  1  0.76586100  0.15400300  0.67203000  1
  O  O28  1  0.26590300  0.10371900  0.26114300  1
  O  O29  1  0.73413900  0.15400300  0.17203000  1
  O  O30  1  0.05894400  0.31742300  0.92406500  1
  O  O31  1  0.44727000  0.30706700  0.92396900  1
  O  O32  1  0.05273000  0.30706700  0.42396900  1
  O  O33  1  0.44105600  0.31742300  0.42406500  1
  O  O34  1  0.75982000  0.42330700  0.68954000  1
  O  O35  1  0.23484500  0.41354500  0.59341400  1
  O  O36  1  0.74018000  0.42330700  0.18954000  1
  O  O37  1  0.26515500  0.41354500  0.09341400  1
  O  O38  1  0.73484500  0.58645500  0.90658600  1
  O  O39  1  0.25982000  0.57669300  0.81046000  1
  O  O40  1  0.76515500  0.58645500  0.40658600  1
  O  O41  1  0.24018000  0.57669300  0.31046000  1
  O  O42  1  0.94727000  0.69293300  0.57603100  1
  O  O43  1  0.55894400  0.68257700  0.57593500  1
  O  O44  1  0.94105600  0.68257700  0.07593500  1
  O  O45  1  0.55273000  0.69293300  0.07603100  1
  O  O46  1  0.26586100  0.84599700  0.82797000  1
  O  O47  1  0.73409700  0.89628100  0.73885700  1
  O  O48  1  0.23413900  0.84599700  0.32797000  1
  O  O49  1  0.76590300  0.89628100  0.23885700  1
  O  O50  1  0.26733800  0.93514600  0.50810400  1
  O  O51  1  0.23266200  0.93514600  0.00810400  1
