# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39882900
_cell_length_b   8.35760113
_cell_length_c   9.93020423
_cell_angle_alpha   85.34026217
_cell_angle_beta   89.85884627
_cell_angle_gamma   89.64421631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   529.28949040
_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  0.25158000  0.90164300  0.61316900  1
  Li  Li1  1  0.25593000  0.89986900  0.11957200  1
  Li  Li2  1  0.49806400  0.72496700  0.89122400  1
  Li  Li3  1  0.00994300  0.72504400  0.36583000  1
  Li  Li4  1  0.48860500  0.72492100  0.36433400  1
  Li  Li5  1  0.74467000  0.65705800  0.11815400  1
  Li  Li6  1  0.52214200  0.27786600  0.61946400  1
  Li  Li7  1  0.97803500  0.27831500  0.61948900  1
  Li  Li8  1  0.52755400  0.28087100  0.12721900  1
  Li  Li9  1  0.97302900  0.27991300  0.12732700  1
  Li  Li10  1  0.74961700  0.10473800  0.88861900  1
  Li  Li11  1  0.74884200  0.09117100  0.37689200  1
  Ni  Ni12  1  0.00205900  0.73088800  0.88481000  1
  Ni  Ni13  1  0.74913200  0.66571600  0.60004500  1
  Ni  Ni14  1  0.25045000  0.33247900  0.89756200  1
  Ni  Ni15  1  0.24914300  0.33375700  0.39557300  1
  P  P16  1  0.24559600  0.58767400  0.64037000  1
  P  P17  1  0.25226000  0.58509200  0.13585600  1
  P  P18  1  0.75355500  0.41522000  0.85601900  1
  P  P19  1  0.74934200  0.41236000  0.36059700  1
  C  C20  1  0.75562900  0.95881100  0.65091400  1
  C  C21  1  0.75461600  0.96070100  0.14514600  1
  C  C22  1  0.24473800  0.03887000  0.85279700  1
  C  C23  1  0.24986800  0.04022100  0.35168800  1
  O  O24  1  0.74799400  0.92275200  0.52737500  1
  O  O25  1  0.23266100  0.88919800  0.82148000  1
  O  O26  1  0.76007500  0.92642300  0.02010500  1
  O  O27  1  0.76321300  0.83777700  0.74501100  1
  O  O28  1  0.25042200  0.89206500  0.32190600  1
  O  O29  1  0.75343800  0.84979900  0.24357100  1
  O  O30  1  0.06066200  0.69357200  0.58504200  1
  O  O31  1  0.43643300  0.69179600  0.59454000  1
  O  O32  1  0.05982400  0.68786900  0.08368700  1
  O  O33  1  0.44031400  0.68938800  0.08819000  1
  O  O34  1  0.75679500  0.58214500  0.91209600  1
  O  O35  1  0.23140000  0.56689900  0.79992900  1
  O  O36  1  0.74766600  0.58189000  0.41339100  1
  O  O37  1  0.24501600  0.56241400  0.29360100  1
  O  O38  1  0.75245300  0.43649100  0.69835000  1
  O  O39  1  0.25011900  0.41901500  0.58866900  1
  O  O40  1  0.75020000  0.43153900  0.20519400  1
  O  O41  1  0.25173600  0.41601400  0.08323400  1
  O  O42  1  0.93895100  0.30648500  0.90727200  1
  O  O43  1  0.56302000  0.31550300  0.90940900  1
  O  O44  1  0.56146000  0.30839600  0.41545800  1
  O  O45  1  0.93748000  0.30782900  0.41602300  1
  O  O46  1  0.25457500  0.15240500  0.75677900  1
  O  O47  1  0.75198800  0.10411600  0.68471600  1
  O  O48  1  0.24944300  0.15670400  0.25650900  1
  O  O49  1  0.24960200  0.07415100  0.97633400  1
  O  O50  1  0.74870000  0.11119400  0.17365300  1
  O  O51  1  0.24996600  0.07800600  0.47580400  1
