# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94520100
_cell_length_b   8.35024853
_cell_length_c   12.83559284
_cell_angle_alpha   90.41331391
_cell_angle_beta   90.10040922
_cell_angle_gamma   94.79828003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   528.15580055
_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  0.23546800  0.09745600  0.12448300  1
  Li  Li1  1  0.23136900  0.10147200  0.62879500  1
  Li  Li2  1  0.75395800  0.27903400  0.51347800  1
  Li  Li3  1  0.75113800  0.27275800  0.24736400  1
  Li  Li4  1  0.76552400  0.28038000  0.74080800  1
  Li  Li5  1  0.21897600  0.34775900  0.86905200  1
  Li  Li6  1  0.24353000  0.71879500  0.98204900  1
  Li  Li7  1  0.24600500  0.72062600  0.26321800  1
  Li  Li8  1  0.24890600  0.72384200  0.49410000  1
  Li  Li9  1  0.24629400  0.71997800  0.76180400  1
  Li  Li10  1  0.76643500  0.90118900  0.37820100  1
  Li  Li11  1  0.76677400  0.90122700  0.87133800  1
  Ni  Ni12  1  0.75172300  0.26621800  0.99643600  1
  Ni  Ni13  1  0.20896600  0.33260700  0.37589200  1
  Ni  Ni14  1  0.79369100  0.66697800  0.12416700  1
  Ni  Ni15  1  0.79277400  0.66641200  0.62537800  1
  P  P16  1  0.27152600  0.41272300  0.12357300  1
  P  P17  1  0.27743100  0.41327800  0.62531300  1
  P  P18  1  0.72052100  0.58546100  0.37407000  1
  P  P19  1  0.71470100  0.58725800  0.87669600  1
  C  C20  1  0.29747100  0.03918500  0.37341200  1
  C  C21  1  0.29554300  0.04080000  0.88281200  1
  C  C22  1  0.70306200  0.95915900  0.62476100  1
  C  C23  1  0.70617300  0.96133900  0.12273500  1
  O  O24  1  0.04663600  0.07309800  0.88126800  1
  O  O25  1  0.04878400  0.07650600  0.37337100  1
  O  O26  1  0.64581800  0.11144000  0.11796400  1
  O  O27  1  0.64045200  0.10656600  0.62529900  1
  O  O28  1  0.48907700  0.15607400  0.37242800  1
  O  O29  1  0.48950600  0.15665700  0.88972200  1
  O  O30  1  0.17455100  0.30785200  0.53019300  1
  O  O31  1  0.15219200  0.30905600  0.03166300  1
  O  O32  1  0.18476500  0.30892500  0.21953100  1
  O  O33  1  0.17885600  0.30955000  0.71850500  1
  O  O34  1  0.83029600  0.41818600  0.37369800  1
  O  O35  1  0.82313000  0.41852000  0.87649700  1
  O  O36  1  0.59441500  0.43841300  0.62354300  1
  O  O37  1  0.59076700  0.43066200  0.11404200  1
  O  O38  1  0.40467200  0.56171300  0.37351200  1
  O  O39  1  0.40241000  0.57058300  0.87732700  1
  O  O40  1  0.17392900  0.58264500  0.12760200  1
  O  O41  1  0.16831500  0.58119900  0.62411500  1
  O  O42  1  0.82400500  0.69219900  0.46753500  1
  O  O43  1  0.82198600  0.68992800  0.27999500  1
  O  O44  1  0.82752000  0.68779200  0.78261400  1
  O  O45  1  0.82701000  0.69337700  0.97010800  1
  O  O46  1  0.51266100  0.84833400  0.12653700  1
  O  O47  1  0.51353900  0.84122000  0.62411700  1
  O  O48  1  0.35844200  0.89162800  0.37453300  1
  O  O49  1  0.36226400  0.89390500  0.87423700  1
  O  O50  1  0.95349500  0.92513200  0.12497700  1
  O  O51  1  0.95255100  0.92290100  0.62513800  1
