# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34142800
_cell_length_b   8.50219500
_cell_length_c   9.76934385
_cell_angle_alpha   84.95494573
_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   524.68389726
_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  0.74870000  0.89986100  0.61664500  1
  Li  Li1  1  0.75130000  0.89986100  0.11664500  1
  Li  Li2  1  0.99029800  0.72044000  0.88064400  1
  Li  Li3  1  0.50970200  0.72044000  0.38064400  1
  Li  Li4  1  0.25271000  0.65214700  0.60982300  1
  Li  Li5  1  0.24729000  0.65214700  0.10982300  1
  Li  Li6  1  0.75271000  0.34785300  0.89017700  1
  Li  Li7  1  0.74729000  0.34785300  0.39017700  1
  Li  Li8  1  0.49029800  0.27956000  0.61935600  1
  Li  Li9  1  0.00970200  0.27956000  0.11935600  1
  Li  Li10  1  0.24870000  0.10013900  0.88335500  1
  Li  Li11  1  0.25130000  0.10013900  0.38335500  1
  Ni  Ni12  1  0.50944900  0.72699200  0.87483200  1
  Ni  Ni13  1  0.99055100  0.72699200  0.37483200  1
  Ni  Ni14  1  0.00944900  0.27300800  0.62516800  1
  Ni  Ni15  1  0.49055100  0.27300800  0.12516800  1
  P  P16  1  0.74811800  0.59084200  0.63945900  1
  P  P17  1  0.75188200  0.59084200  0.13945900  1
  P  P18  1  0.24811800  0.40915800  0.86054100  1
  P  P19  1  0.25188200  0.40915800  0.36054100  1
  C  C20  1  0.24952900  0.96138700  0.64773400  1
  C  C21  1  0.25047100  0.96138700  0.14773400  1
  C  C22  1  0.74952900  0.03861300  0.85226600  1
  C  C23  1  0.75047100  0.03861300  0.35226600  1
  O  O24  1  0.24433100  0.93071400  0.52294600  1
  O  O25  1  0.73756000  0.88999900  0.81958900  1
  O  O26  1  0.25566900  0.93071400  0.02294600  1
  O  O27  1  0.26650700  0.85167100  0.74849000  1
  O  O28  1  0.76244000  0.88999900  0.31958900  1
  O  O29  1  0.23349300  0.85167100  0.24849000  1
  O  O30  1  0.94200400  0.69105300  0.58419200  1
  O  O31  1  0.55548500  0.68445400  0.58280700  1
  O  O32  1  0.94451500  0.68445400  0.08280700  1
  O  O33  1  0.55799600  0.69105300  0.08419200  1
  O  O34  1  0.25886000  0.58008700  0.90447900  1
  O  O35  1  0.74379800  0.58101700  0.80064800  1
  O  O36  1  0.24114000  0.58008700  0.40447900  1
  O  O37  1  0.75620200  0.58101700  0.30064800  1
  O  O38  1  0.24379800  0.41898300  0.69935200  1
  O  O39  1  0.75886000  0.41991300  0.59552100  1
  O  O40  1  0.25620200  0.41898300  0.19935200  1
  O  O41  1  0.74114000  0.41991300  0.09552100  1
  O  O42  1  0.05548500  0.31554600  0.91719300  1
  O  O43  1  0.44200400  0.30894700  0.91580800  1
  O  O44  1  0.44451500  0.31554600  0.41719300  1
  O  O45  1  0.05799600  0.30894700  0.41580800  1
  O  O46  1  0.76650700  0.14832900  0.75151000  1
  O  O47  1  0.23756000  0.11000100  0.68041100  1
  O  O48  1  0.73349300  0.14832900  0.25151000  1
  O  O49  1  0.74433100  0.06928600  0.97705400  1
  O  O50  1  0.26244000  0.11000100  0.18041100  1
  O  O51  1  0.75566900  0.06928600  0.47705400  1
