# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30126100
_cell_length_b   8.60677100
_cell_length_c   9.68807898
_cell_angle_alpha   84.09652312
_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   522.63201581
_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  0.75792500  0.89152300  0.36108300  1
  Li  Li1  1  0.74207500  0.89152300  0.86108300  1
  Li  Li2  1  0.49830900  0.72128200  0.62836100  1
  Li  Li3  1  0.00169100  0.72128200  0.12836100  1
  Li  Li4  1  0.25234500  0.64417800  0.36288500  1
  Li  Li5  1  0.24765500  0.64417800  0.86288500  1
  Li  Li6  1  0.74765500  0.35582200  0.63711500  1
  Li  Li7  1  0.75234500  0.35582200  0.13711500  1
  Li  Li8  1  0.50169100  0.27871800  0.37163900  1
  Li  Li9  1  0.99830900  0.27871800  0.87163900  1
  Li  Li10  1  0.24207500  0.10847700  0.63891700  1
  Li  Li11  1  0.25792500  0.10847700  0.13891700  1
  Ni  Ni12  1  0.99639000  0.73022000  0.62228600  1
  Ni  Ni13  1  0.50361000  0.73022000  0.12228600  1
  Ni  Ni14  1  0.00361000  0.26978000  0.37771400  1
  Ni  Ni15  1  0.49639000  0.26978000  0.87771400  1
  P  P16  1  0.76091900  0.59291500  0.38849500  1
  P  P17  1  0.73908100  0.59291500  0.88849500  1
  P  P18  1  0.23908100  0.40708500  0.61150500  1
  P  P19  1  0.26091900  0.40708500  0.11150500  1
  C  C20  1  0.24088100  0.95912000  0.40088700  1
  C  C21  1  0.25911900  0.95912000  0.90088700  1
  C  C22  1  0.75911900  0.04088000  0.59911300  1
  C  C23  1  0.74088100  0.04088000  0.09911300  1
  O  O24  1  0.25930400  0.93533600  0.27429100  1
  O  O25  1  0.77367700  0.89695000  0.56329900  1
  O  O26  1  0.24069600  0.93533600  0.77429100  1
  O  O27  1  0.24207600  0.84451500  0.49912900  1
  O  O28  1  0.72632300  0.89695000  0.06329900  1
  O  O29  1  0.25792400  0.84451500  0.99912900  1
  O  O30  1  0.94910500  0.69236700  0.32991500  1
  O  O31  1  0.56030300  0.68372200  0.33162100  1
  O  O32  1  0.93969700  0.68372200  0.83162100  1
  O  O33  1  0.55089500  0.69236700  0.82991500  1
  O  O34  1  0.24061600  0.57610400  0.65191100  1
  O  O35  1  0.76223600  0.58622000  0.55051900  1
  O  O36  1  0.25938400  0.57610400  0.15191100  1
  O  O37  1  0.73776400  0.58622000  0.05051900  1
  O  O38  1  0.23776400  0.41378000  0.44948100  1
  O  O39  1  0.75938400  0.42389600  0.34808900  1
  O  O40  1  0.26223600  0.41378000  0.94948100  1
  O  O41  1  0.74061600  0.42389600  0.84808900  1
  O  O42  1  0.05089500  0.30763300  0.67008500  1
  O  O43  1  0.43969700  0.31627800  0.66837900  1
  O  O44  1  0.44910500  0.30763300  0.17008500  1
  O  O45  1  0.06030300  0.31627800  0.16837900  1
  O  O46  1  0.75792400  0.15548500  0.50087100  1
  O  O47  1  0.22632300  0.10305000  0.43670100  1
  O  O48  1  0.74207600  0.15548500  0.00087100  1
  O  O49  1  0.74069600  0.06466400  0.72570900  1
  O  O50  1  0.27367700  0.10305000  0.93670100  1
  O  O51  1  0.75930400  0.06466400  0.22570900  1
