# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32910800
_cell_length_b   9.41178100
_cell_length_c   9.74443610
_cell_angle_alpha   63.96928575
_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   521.57599185
_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  0.24996400  0.09994600  0.31695800  1
  Li  Li1  1  0.25003600  0.09994600  0.81695800  1
  Li  Li2  1  0.00925800  0.27818600  0.49144000  1
  Li  Li3  1  0.49074200  0.27818600  0.99144000  1
  Li  Li4  1  0.75150600  0.34760600  0.68627400  1
  Li  Li5  1  0.74849400  0.34760600  0.18627400  1
  Li  Li6  1  0.24849400  0.65239400  0.31372600  1
  Li  Li7  1  0.25150600  0.65239400  0.81372600  1
  Li  Li8  1  0.99074200  0.72181400  0.50856000  1
  Li  Li9  1  0.50925800  0.72181400  0.00856000  1
  Li  Li10  1  0.75003600  0.90005400  0.68304200  1
  Li  Li11  1  0.74996400  0.90005400  0.18304200  1
  Ni  Ni12  1  0.49058100  0.27427200  0.48756300  1
  Ni  Ni13  1  0.00941900  0.27427200  0.98756300  1
  Ni  Ni14  1  0.50941900  0.72572800  0.51243700  1
  Ni  Ni15  1  0.99058100  0.72572800  0.01243700  1
  P  P16  1  0.24783800  0.40908600  0.68492800  1
  P  P17  1  0.25216200  0.40908600  0.18492800  1
  P  P18  1  0.75216200  0.59091400  0.31507200  1
  P  P19  1  0.74783800  0.59091400  0.81507200  1
  C  C20  1  0.74022000  0.03885300  0.37845100  1
  C  C21  1  0.75978000  0.03885300  0.87845100  1
  C  C22  1  0.25978000  0.96114700  0.62154900  1
  C  C23  1  0.24022000  0.96114700  0.12154900  1
  O  O24  1  0.74860000  0.06906100  0.73808000  1
  O  O25  1  0.75140000  0.06906100  0.23808000  1
  O  O26  1  0.26498700  0.10992100  0.51495700  1
  O  O27  1  0.73952200  0.14929000  0.42350200  1
  O  O28  1  0.23501300  0.10992100  0.01495700  1
  O  O29  1  0.76047800  0.14929000  0.92350200  1
  O  O30  1  0.05436000  0.31572100  0.67562200  1
  O  O31  1  0.44102300  0.30852500  0.67963000  1
  O  O32  1  0.05897700  0.30852500  0.17963000  1
  O  O33  1  0.44564000  0.31572100  0.17562200  1
  O  O34  1  0.74098000  0.42043900  0.44476500  1
  O  O35  1  0.25578400  0.41921400  0.34099100  1
  O  O36  1  0.75902000  0.42043900  0.94476500  1
  O  O37  1  0.24421600  0.41921400  0.84099100  1
  O  O38  1  0.74421600  0.58078600  0.65900900  1
  O  O39  1  0.25902000  0.57956100  0.55523500  1
  O  O40  1  0.75578400  0.58078600  0.15900900  1
  O  O41  1  0.24098000  0.57956100  0.05523500  1
  O  O42  1  0.94564000  0.68427900  0.32437800  1
  O  O43  1  0.55897700  0.69147500  0.32037000  1
  O  O44  1  0.94102300  0.69147500  0.82037000  1
  O  O45  1  0.55436000  0.68427900  0.82437800  1
  O  O46  1  0.26047800  0.85071000  0.57649800  1
  O  O47  1  0.73501300  0.89007900  0.48504300  1
  O  O48  1  0.23952200  0.85071000  0.07649800  1
  O  O49  1  0.76498700  0.89007900  0.98504300  1
  O  O50  1  0.25140000  0.93093900  0.26192000  1
  O  O51  1  0.24860000  0.93093900  0.76192000  1
