# generated using pymatgen
data_Li6Ni5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03962500
_cell_length_b   10.51652555
_cell_length_c   12.69642934
_cell_angle_alpha   87.26219038
_cell_angle_beta   106.16127247
_cell_angle_gamma   114.74212430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ni5(P2O7)4
_chemical_formula_sum   'Li12 Ni10 P16 O56'
_cell_volume   1049.59832112
_cell_formula_units_Z   2
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  0.86280100  0.40216200  0.16157400  1
  Li  Li1  1  0.18405400  0.99558800  0.27094500  1
  Li  Li2  1  0.10750400  0.14639500  0.04608000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Li  Li4  1  0.13492600  0.59598000  0.33570700  1
  Li  Li5  1  0.12178000  0.15409800  0.54405400  1
  Li  Li6  1  0.87822000  0.84590200  0.45594600  1
  Li  Li7  1  0.81594600  0.00441200  0.72905500  1
  Li  Li8  1  0.50000000  0.50000000  0.50000000  1
  Li  Li9  1  0.86507400  0.40402000  0.66429300  1
  Li  Li10  1  0.89249600  0.85360500  0.95392000  1
  Li  Li11  1  0.13719900  0.59783800  0.83842600  1
  Ni  Ni12  1  0.89841700  0.28518700  0.88878200  1
  Ni  Ni13  1  0.10246800  0.71337300  0.61069100  1
  Ni  Ni14  1  0.50745200  0.24185200  0.93383700  1
  Ni  Ni15  1  0.49806200  0.75968700  0.56731000  1
  Ni  Ni16  1  0.50193800  0.24031300  0.43269000  1
  Ni  Ni17  1  0.18954000  0.99056600  0.76061400  1
  Ni  Ni18  1  0.89753200  0.28662700  0.38930900  1
  Ni  Ni19  1  0.81046000  0.00943400  0.23938600  1
  Ni  Ni20  1  0.49254800  0.75814800  0.06616300  1
  Ni  Ni21  1  0.10158300  0.71481300  0.11121800  1
  P  P22  1  0.54411700  0.18925700  0.68834600  1
  P  P23  1  0.81991500  0.70731600  0.70858100  1
  P  P24  1  0.45588300  0.81074300  0.31165400  1
  P  P25  1  0.80943800  0.70787500  0.20927800  1
  P  P26  1  0.71176700  0.04518200  0.46605200  1
  P  P27  1  0.19852000  0.45299800  0.60274400  1
  P  P28  1  0.19393700  0.45125400  0.10214500  1
  P  P29  1  0.80606300  0.54874600  0.89785500  1
  P  P30  1  0.19056200  0.29212500  0.79072200  1
  P  P31  1  0.28823300  0.95481800  0.53394800  1
  P  P32  1  0.45015000  0.81097400  0.81164600  1
  P  P33  1  0.54985000  0.18902600  0.18835400  1
  P  P34  1  0.18008500  0.29268400  0.29141900  1
  P  P35  1  0.71761300  0.04659300  0.97112200  1
  P  P36  1  0.28238700  0.95340700  0.02887800  1
  P  P37  1  0.80148000  0.54700200  0.39725600  1
  O  O38  1  0.91059600  0.48001500  0.86839400  1
  O  O39  1  0.45238300  0.03413300  0.12405100  1
  O  O40  1  0.92165400  0.68365900  0.46857400  1
  O  O41  1  0.44767700  0.70570700  0.89894900  1
  O  O42  1  0.47139000  0.71192800  0.40142100  1
  O  O43  1  0.89699900  0.85700300  0.26960400  1
  O  O44  1  0.06081700  0.34495100  0.79923100  1
  O  O45  1  0.33593900  0.55012900  0.05693500  1
  O  O46  1  0.27149300  0.78576700  0.25920700  1
  O  O47  1  0.28453200  0.39538500  0.21181300  1
  O  O48  1  0.70151800  0.96544400  0.07375000  1
  O  O49  1  0.32082500  0.30816500  0.90114900  1
  O  O50  1  0.72112500  0.19391500  0.47669000  1
  O  O51  1  0.72218600  0.19409500  0.97915500  1
  O  O52  1  0.52861000  0.28807200  0.59857900  1
  O  O53  1  0.71546800  0.60461500  0.78818700  1
  O  O54  1  0.43951200  0.17373100  0.76900100  1
  O  O55  1  0.86724700  0.05169600  0.93190000  1
  O  O56  1  0.14169600  0.94997600  0.58092100  1
  O  O57  1  0.06465300  0.35960900  0.30428900  1
  O  O58  1  0.27887500  0.80608500  0.52331000  1
  O  O59  1  0.27781400  0.80590500  0.02084500  1
  O  O60  1  0.33659400  0.55035400  0.55353100  1
  O  O61  1  0.26968100  0.80561700  0.76142400  1
  O  O62  1  0.29431200  0.03517400  0.43200200  1
  O  O63  1  0.93918300  0.65504900  0.20076900  1
  O  O64  1  0.93534700  0.64039100  0.69571100  1
  O  O65  1  0.54545400  0.81122800  0.73056200  1
  O  O66  1  0.45454600  0.18877200  0.26943800  1
  O  O67  1  0.92187200  0.68419400  0.97087000  1
  O  O68  1  0.09705200  0.52286200  0.63476200  1
  O  O69  1  0.29340000  0.40146100  0.71305500  1
  O  O70  1  0.66406100  0.44987100  0.94306500  1
  O  O71  1  0.31317800  0.30449500  0.39928800  1
  O  O72  1  0.54761700  0.96586700  0.87594900  1
  O  O73  1  0.53803500  0.96723300  0.37223500  1
  O  O74  1  0.67917500  0.69183500  0.09885100  1
  O  O75  1  0.07812800  0.31580600  0.02913000  1
  O  O76  1  0.08940400  0.51998500  0.13160600  1
  O  O77  1  0.68682200  0.69550500  0.60071200  1
  O  O78  1  0.70568800  0.96482600  0.56799800  1
  O  O79  1  0.72850700  0.21423300  0.74079300  1
  O  O80  1  0.56048800  0.82626900  0.23099900  1
  O  O81  1  0.29848200  0.03455600  0.92625000  1
  O  O82  1  0.13275300  0.94830400  0.06810000  1
  O  O83  1  0.66340600  0.44964600  0.44646900  1
  O  O84  1  0.07834600  0.31634100  0.53142600  1
  O  O85  1  0.70660000  0.59853900  0.28694500  1
  O  O86  1  0.92432900  0.85815600  0.76640800  1
  O  O87  1  0.55232300  0.29429300  0.10105100  1
  O  O88  1  0.10300100  0.14299700  0.73039600  1
  O  O89  1  0.85830400  0.05002400  0.41907900  1
  O  O90  1  0.07567100  0.14184400  0.23359200  1
  O  O91  1  0.73031900  0.19438300  0.23857600  1
  O  O92  1  0.46196500  0.03276700  0.62776500  1
  O  O93  1  0.90294800  0.47713800  0.36523800  1
