# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09983128
_cell_length_b   10.48436602
_cell_length_c   10.48472240
_cell_angle_alpha   104.24028449
_cell_angle_beta   87.84105532
_cell_angle_gamma   92.16801006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   542.75466466
_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  0.03041800  0.75913500  0.75587100  1
  Li  Li1  1  0.03081100  0.25903700  0.25563200  1
  Li  Li2  1  0.96991700  0.50555300  0.50899200  1
  Li  Li3  1  0.96959000  0.00555200  0.00894200  1
  Li  Li4  1  0.42067100  0.02682300  0.20191800  1
  Li  Li5  1  0.42060700  0.52686800  0.70205500  1
  Li  Li6  1  0.57911300  0.95200900  0.77658500  1
  Li  Li7  1  0.57972500  0.45241100  0.27718200  1
  Li  Li8  1  0.43659900  0.94173400  0.45970600  1
  Li  Li9  1  0.43645000  0.44169100  0.95978700  1
  Li  Li10  1  0.56315200  0.20980200  0.69162700  1
  Li  Li11  1  0.56351600  0.71008400  0.19170800  1
  Ni  Ni12  1  0.05902200  0.73717800  0.00875100  1
  Ni  Ni13  1  0.94074000  0.25858100  0.98736000  1
  Ni  Ni14  1  0.05879200  0.23744700  0.50851600  1
  Ni  Ni15  1  0.94104400  0.75855700  0.48756800  1
  P  P16  1  0.96085300  0.95445100  0.29073300  1
  P  P17  1  0.96089800  0.45455100  0.79076100  1
  P  P18  1  0.03905600  0.04081100  0.70453900  1
  P  P19  1  0.03918000  0.54067600  0.20466000  1
  C  C20  1  0.52662400  0.29921500  0.43999800  1
  C  C21  1  0.52697300  0.79917200  0.93979800  1
  C  C22  1  0.47339200  0.68995600  0.54910800  1
  C  C23  1  0.47307200  0.18995800  0.04922100  1
  O  O24  1  0.34929800  0.34728600  0.38020700  1
  O  O25  1  0.34996800  0.84713400  0.87977600  1
  O  O26  1  0.65071600  0.63003500  0.59702500  1
  O  O27  1  0.65044000  0.13007500  0.09712000  1
  O  O28  1  0.77252500  0.32983600  0.42378000  1
  O  O29  1  0.77305700  0.82964900  0.92366400  1
  O  O30  1  0.22745500  0.67370200  0.57967700  1
  O  O31  1  0.22712000  0.17363000  0.07983600  1
  O  O32  1  0.08422600  0.91179000  0.14762400  1
  O  O33  1  0.08407700  0.41190000  0.64762200  1
  O  O34  1  0.91591800  0.89764800  0.66194000  1
  O  O35  1  0.91611300  0.39749000  0.16201800  1
  O  O36  1  0.05351100  0.10188900  0.33314900  1
  O  O37  1  0.05404300  0.60192700  0.83315800  1
  O  O38  1  0.94622400  0.08323300  0.85193600  1
  O  O39  1  0.94616300  0.58302400  0.35204100  1
  O  O40  1  0.45613800  0.22289900  0.51575600  1
  O  O41  1  0.45627500  0.72308000  0.01575200  1
  O  O42  1  0.54386200  0.76591400  0.47299600  1
  O  O43  1  0.54341400  0.26590300  0.97309200  1
  O  O44  1  0.65917900  0.93230300  0.29025000  1
  O  O45  1  0.65919700  0.43253000  0.79039700  1
  O  O46  1  0.34070600  0.04053500  0.68237500  1
  O  O47  1  0.34085900  0.54053600  0.18262300  1
  O  O48  1  0.09053400  0.88039500  0.38175300  1
  O  O49  1  0.09048100  0.38043700  0.88175600  1
  O  O50  1  0.90921500  0.13168300  0.63036600  1
  O  O51  1  0.90906800  0.63148100  0.13049000  1
