# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35604266
_cell_length_b   9.89314113
_cell_length_c   6.39644279
_cell_angle_alpha   89.73213132
_cell_angle_beta   90.25857771
_cell_angle_gamma   85.00293744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   526.75601362
_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  0.10258100  0.38901200  0.25298600  1
  Li  Li1  1  0.09625200  0.87890900  0.25398400  1
  Li  Li2  1  0.27539800  0.13185200  0.49021400  1
  Li  Li3  1  0.27557700  0.61172700  0.00620400  1
  Li  Li4  1  0.27603900  0.61126000  0.49142900  1
  Li  Li5  1  0.34442700  0.39920600  0.74796600  1
  Li  Li6  1  0.71861300  0.37947800  0.52778600  1
  Li  Li7  1  0.71812500  0.37904800  0.97267400  1
  Li  Li8  1  0.72241800  0.87382200  0.52223100  1
  Li  Li9  1  0.72349400  0.87374400  0.97881300  1
  Li  Li10  1  0.90547100  0.11856400  0.75057700  1
  Li  Li11  1  0.89879300  0.61393600  0.74919200  1
  Ni  Ni12  1  0.27273900  0.13768900  0.00508700  1
  Ni  Ni13  1  0.33419000  0.89388300  0.74903500  1
  Ni  Ni14  1  0.66680900  0.10348800  0.24955300  1
  Ni  Ni15  1  0.66736800  0.60306000  0.24901400  1
  P  P16  1  0.41089300  0.36166500  0.24701400  1
  P  P17  1  0.41529100  0.86350200  0.25086600  1
  P  P18  1  0.59005900  0.14139800  0.75239700  1
  P  P19  1  0.58327200  0.64146800  0.74951000  1
  C  C20  1  0.03757400  0.34971600  0.75795200  1
  C  C21  1  0.04066000  0.85126700  0.75166900  1
  C  C22  1  0.96093500  0.14780500  0.24606400  1
  C  C23  1  0.96025000  0.64877900  0.24982700  1
  O  O24  1  0.07242700  0.47228100  0.75023200  1
  O  O25  1  0.11003100  0.18070000  0.24020200  1
  O  O26  1  0.07749300  0.97613700  0.75152700  1
  O  O27  1  0.15140300  0.24917600  0.76872500  1
  O  O28  1  0.10836800  0.67772900  0.24999400  1
  O  O29  1  0.15834900  0.75654800  0.75265000  1
  O  O30  1  0.30744200  0.41083400  0.05774900  1
  O  O31  1  0.30959300  0.40367500  0.43995800  1
  O  O32  1  0.30955100  0.92321900  0.06244700  1
  O  O33  1  0.30905500  0.91460600  0.43746600  1
  O  O34  1  0.41910200  0.08705200  0.75681500  1
  O  O35  1  0.43408300  0.19967400  0.23552100  1
  O  O36  1  0.41812800  0.58784300  0.74836500  1
  O  O37  1  0.43640800  0.70653800  0.24242100  1
  O  O38  1  0.56857300  0.29663300  0.75162600  1
  O  O39  1  0.58054200  0.41207800  0.25004800  1
  O  O40  1  0.56382200  0.80056000  0.75016100  1
  O  O41  1  0.58277800  0.91640100  0.25099100  1
  O  O42  1  0.69543800  0.08475100  0.93861200  1
  O  O43  1  0.68656000  0.08363000  0.56199000  1
  O  O44  1  0.69024000  0.59085400  0.56204300  1
  O  O45  1  0.69138500  0.58946500  0.93701000  1
  O  O46  1  0.84549600  0.24271000  0.25246900  1
  O  O47  1  0.88939800  0.31834100  0.75028500  1
  O  O48  1  0.84372000  0.74516200  0.24927700  1
  O  O49  1  0.92764600  0.02342500  0.24896800  1
  O  O50  1  0.89360100  0.82086500  0.74993400  1
  O  O51  1  0.92213900  0.52483600  0.25046900  1
