# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39534600
_cell_length_b   8.37128382
_cell_length_c   9.91434316
_cell_angle_alpha   94.79770882
_cell_angle_beta   90.07326719
_cell_angle_gamma   90.11139829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   528.92541200
_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  0.74771800  0.91074800  0.38061000  1
  Li  Li1  1  0.74581500  0.90283800  0.88048200  1
  Li  Li2  1  0.52024200  0.72183700  0.12300300  1
  Li  Li3  1  0.97977800  0.72431600  0.62290100  1
  Li  Li4  1  0.52206500  0.72394300  0.62327600  1
  Li  Li5  1  0.74916200  0.33903300  0.10512900  1
  Li  Li6  1  0.48596400  0.27684300  0.37005700  1
  Li  Li7  1  0.01446400  0.27760500  0.37021000  1
  Li  Li8  1  0.49020100  0.27719300  0.88659800  1
  Li  Li9  1  0.00906300  0.27636300  0.88670700  1
  Li  Li10  1  0.25040500  0.10536500  0.11302700  1
  Li  Li11  1  0.25072700  0.09935500  0.61713200  1
  Ni  Ni12  1  0.98424000  0.72349400  0.12511400  1
  Ni  Ni13  1  0.25083100  0.66495300  0.39783000  1
  Ni  Ni14  1  0.25181700  0.66565100  0.89257300  1
  Ni  Ni15  1  0.75096800  0.33305200  0.60330700  1
  P  P16  1  0.75320100  0.58899700  0.36047200  1
  P  P17  1  0.74812200  0.58179400  0.85995800  1
  P  P18  1  0.24627900  0.41066600  0.13989600  1
  P  P19  1  0.25064500  0.41441900  0.63938000  1
  C  C20  1  0.24531300  0.95985200  0.35029000  1
  C  C21  1  0.24792400  0.95983200  0.85214900  1
  C  C22  1  0.75341500  0.03618500  0.14699500  1
  C  C23  1  0.75034400  0.04024600  0.64901700  1
  O  O24  1  0.25147000  0.92297500  0.47384700  1
  O  O25  1  0.76122100  0.88282000  0.17801000  1
  O  O26  1  0.24657700  0.92179000  0.97685200  1
  O  O27  1  0.23892800  0.83978500  0.25486500  1
  O  O28  1  0.75003700  0.89231500  0.67886300  1
  O  O29  1  0.24800600  0.84285600  0.75662200  1
  O  O30  1  0.93946900  0.69357700  0.41674400  1
  O  O31  1  0.56301300  0.69242300  0.41092200  1
  O  O32  1  0.93713500  0.68924300  0.91671700  1
  O  O33  1  0.56260600  0.69047900  0.91131100  1
  O  O34  1  0.23969700  0.58251200  0.08525900  1
  O  O35  1  0.76290200  0.57239100  0.20243700  1
  O  O36  1  0.25171300  0.58218100  0.58550400  1
  O  O37  1  0.75553000  0.56653200  0.70213300  1
  O  O38  1  0.24783000  0.43909500  0.29797300  1
  O  O39  1  0.75024500  0.41999900  0.41116400  1
  O  O40  1  0.25011600  0.43876200  0.79699000  1
  O  O41  1  0.74931600  0.41706100  0.91302800  1
  O  O42  1  0.05793500  0.30705900  0.09158900  1
  O  O43  1  0.44060800  0.31724700  0.08918000  1
  O  O44  1  0.43851300  0.30929700  0.58749100  1
  O  O45  1  0.06287000  0.30886200  0.58686700  1
  O  O46  1  0.74399900  0.14298600  0.24674400  1
  O  O47  1  0.24847200  0.10519700  0.31764600  1
  O  O48  1  0.75047600  0.15642900  0.74431400  1
  O  O49  1  0.75190500  0.06693100  0.02336000  1
  O  O50  1  0.25035000  0.10687600  0.82245200  1
  O  O51  1  0.75036300  0.07773900  0.52500100  1
