# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34393402
_cell_length_b   9.52362065
_cell_length_c   9.76299479
_cell_angle_alpha   116.65656557
_cell_angle_beta   90.00543230
_cell_angle_gamma   90.00492622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   527.15856086
_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  0.26111400  0.10978300  0.44081900  1
  Li  Li1  1  0.26082300  0.10984000  0.94093600  1
  Li  Li2  1  0.76083900  0.89015700  0.55910600  1
  Li  Li3  1  0.76108300  0.89017700  0.05915600  1
  Li  Li4  1  0.48231800  0.28165200  0.26240300  1
  Li  Li5  1  0.48212200  0.28173400  0.76254700  1
  Li  Li6  1  0.98233800  0.71833900  0.73752400  1
  Li  Li7  1  0.98253400  0.71840000  0.23760000  1
  Li  Li8  1  0.74311300  0.36100000  0.56976200  1
  Li  Li9  1  0.74323600  0.36080800  0.06969900  1
  Li  Li10  1  0.24321000  0.63917200  0.43029900  1
  Li  Li11  1  0.24318100  0.63903300  0.93025900  1
  Ni  Ni12  1  0.99560000  0.26165100  0.75691400  1
  Ni  Ni13  1  0.49579500  0.73840600  0.74290100  1
  Ni  Ni14  1  0.99594700  0.26205200  0.25739500  1
  Ni  Ni15  1  0.49603100  0.73794300  0.24262900  1
  P  P16  1  0.24750600  0.40981700  0.56702600  1
  P  P17  1  0.24743600  0.40973700  0.06697200  1
  P  P18  1  0.74745100  0.59023400  0.43302600  1
  P  P19  1  0.74744800  0.59019300  0.93295300  1
  C  C20  1  0.76315200  0.04442000  0.37951400  1
  C  C21  1  0.76312400  0.04441700  0.87947700  1
  C  C22  1  0.26313100  0.95560000  0.62048700  1
  C  C23  1  0.26316200  0.95558300  0.12053600  1
  O  O24  1  0.77163800  0.06813100  0.51927600  1
  O  O25  1  0.77151500  0.06813800  0.01921800  1
  O  O26  1  0.27152100  0.93185600  0.48082700  1
  O  O27  1  0.27153600  0.93186400  0.98081400  1
  O  O28  1  0.23735100  0.10022300  0.23212600  1
  O  O29  1  0.23727900  0.10022300  0.73211800  1
  O  O30  1  0.73734200  0.89978200  0.76787600  1
  O  O31  1  0.73733900  0.89976000  0.26789200  1
  O  O32  1  0.77573800  0.15880600  0.34255300  1
  O  O33  1  0.77574100  0.15880700  0.84255300  1
  O  O34  1  0.27578400  0.84114800  0.65742100  1
  O  O35  1  0.27578800  0.84117300  0.15742400  1
  O  O36  1  0.05584700  0.31803500  0.58540000  1
  O  O37  1  0.05587400  0.31800100  0.08550600  1
  O  O38  1  0.55582700  0.68196600  0.41452100  1
  O  O39  1  0.55591600  0.68201100  0.91455300  1
  O  O40  1  0.44124300  0.31202000  0.56746400  1
  O  O41  1  0.44123300  0.31202100  0.06746200  1
  O  O42  1  0.94124000  0.68798800  0.43254800  1
  O  O43  1  0.94125800  0.68794500  0.93253300  1
  O  O44  1  0.75036500  0.41780000  0.30638900  1
  O  O45  1  0.75018300  0.41774500  0.80627300  1
  O  O46  1  0.25042200  0.58225800  0.69369700  1
  O  O47  1  0.25039700  0.58219200  0.19362100  1
  O  O48  1  0.22500100  0.41195500  0.40787300  1
  O  O49  1  0.22492900  0.41184100  0.90784200  1
  O  O50  1  0.72498400  0.58813400  0.59215200  1
  O  O51  1  0.72501500  0.58802900  0.09212700  1
