# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34518709
_cell_length_b   8.55445078
_cell_length_c   9.77182078
_cell_angle_alpha   85.28355648
_cell_angle_beta   90.00480577
_cell_angle_gamma   90.01935224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   528.61434131
_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  0.26214000  0.10948500  0.38736400  1
  Li  Li1  1  0.26188000  0.10941000  0.88726100  1
  Li  Li2  1  0.76187300  0.89057800  0.11274000  1
  Li  Li3  1  0.76207200  0.89044400  0.61262400  1
  Li  Li4  1  0.48481800  0.28106000  0.12227900  1
  Li  Li5  1  0.48463700  0.28113400  0.62246200  1
  Li  Li6  1  0.98508200  0.71903300  0.37758500  1
  Li  Li7  1  0.98516300  0.71902600  0.87768600  1
  Li  Li8  1  0.74318900  0.35866600  0.38953800  1
  Li  Li9  1  0.74329100  0.35829300  0.88958900  1
  Li  Li10  1  0.24338100  0.64176000  0.11038200  1
  Li  Li11  1  0.24330700  0.64137300  0.61045000  1
  Ni  Ni12  1  0.99827600  0.26442000  0.62771800  1
  Ni  Ni13  1  0.49874200  0.73527100  0.37222800  1
  Ni  Ni14  1  0.99882000  0.26511500  0.12808500  1
  Ni  Ni15  1  0.49901600  0.73480700  0.87186000  1
  P  P16  1  0.24802600  0.40934600  0.36207800  1
  P  P17  1  0.24776400  0.40919100  0.86211600  1
  P  P18  1  0.74789900  0.59081300  0.13783400  1
  P  P19  1  0.74809100  0.59059600  0.63794200  1
  C  C20  1  0.76077100  0.04272200  0.35442200  1
  C  C21  1  0.76052300  0.04258900  0.85444100  1
  C  C22  1  0.26053300  0.95740800  0.14564500  1
  C  C23  1  0.26073700  0.95724800  0.64556600  1
  O  O24  1  0.76581700  0.06634000  0.48173200  1
  O  O25  1  0.76495300  0.06621700  0.98175100  1
  O  O26  1  0.26512100  0.93384600  0.01836100  1
  O  O27  1  0.26580600  0.93365100  0.51828000  1
  O  O28  1  0.23763600  0.10157400  0.18452200  1
  O  O29  1  0.23721000  0.10142600  0.68428300  1
  O  O30  1  0.73777600  0.89852800  0.31564300  1
  O  O31  1  0.73782700  0.89843500  0.81554700  1
  O  O32  1  0.77450800  0.15734700  0.25935400  1
  O  O33  1  0.77447200  0.15732500  0.75937000  1
  O  O34  1  0.27456400  0.84270200  0.24069600  1
  O  O35  1  0.27476400  0.84267800  0.74064900  1
  O  O36  1  0.05566800  0.31697600  0.42586300  1
  O  O37  1  0.05565500  0.31681800  0.92623200  1
  O  O38  1  0.55586400  0.68338800  0.07382400  1
  O  O39  1  0.55582400  0.68308000  0.57415800  1
  O  O40  1  0.44139100  0.31099200  0.41122400  1
  O  O41  1  0.44140100  0.31088700  0.91094200  1
  O  O42  1  0.94149700  0.68910300  0.08887500  1
  O  O43  1  0.94152500  0.68902900  0.58875500  1
  O  O44  1  0.75118600  0.41947500  0.09710200  1
  O  O45  1  0.75107300  0.41936300  0.59696500  1
  O  O46  1  0.25135300  0.58056900  0.40306200  1
  O  O47  1  0.25132500  0.58051200  0.90291200  1
  O  O48  1  0.22673000  0.41406300  0.20172100  1
  O  O49  1  0.22599200  0.41363500  0.70186400  1
  O  O50  1  0.72616100  0.58630200  0.29811900  1
  O  O51  1  0.72687100  0.58595100  0.79829400  1
