# generated using pymatgen
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39909000
_cell_length_b   9.00488700
_cell_length_c   14.53040992
_cell_angle_alpha   89.66597669
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi4(PO4)3
_chemical_formula_sum   'Li4 Ni16 P12 O48'
_cell_volume   837.27277915
_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  0.50000000  0.34245800  0.68289300  1
  Li  Li1  1  0.00000000  0.16269400  0.83805300  1
  Li  Li2  1  0.00000000  0.15834300  0.17322500  1
  Li  Li3  1  0.00000000  0.15399900  0.50926000  1
  Ni  Ni4  1  0.74232000  0.00043000  0.66921200  1
  Ni  Ni5  1  0.25090100  0.00891500  0.99885900  1
  Ni  Ni6  1  0.74909900  0.00891500  0.99885900  1
  Ni  Ni7  1  0.24886800  0.99149000  0.33389300  1
  Ni  Ni8  1  0.75113200  0.99149000  0.33389300  1
  Ni  Ni9  1  0.25768000  0.00043000  0.66921200  1
  Ni  Ni10  1  0.50000000  0.85196600  0.14891700  1
  Ni  Ni11  1  0.00000000  0.64511500  0.98834900  1
  Ni  Ni12  1  0.00000000  0.65481200  0.64601000  1
  Ni  Ni13  1  0.24825300  0.49399200  0.16792800  1
  Ni  Ni14  1  0.75174700  0.49399200  0.16792800  1
  Ni  Ni15  1  0.25626500  0.49673400  0.83123300  1
  Ni  Ni16  1  0.74373500  0.49673400  0.83123300  1
  Ni  Ni17  1  0.25350100  0.50754700  0.49804500  1
  Ni  Ni18  1  0.74649900  0.50754700  0.49804500  1
  Ni  Ni19  1  0.50000000  0.35417400  0.35027300  1
  P  P20  1  0.00000000  0.82362500  0.48938000  1
  P  P21  1  0.00000000  0.82029200  0.16230600  1
  P  P22  1  0.00000000  0.82284800  0.82155500  1
  P  P23  1  0.50000000  0.67263200  0.31992500  1
  P  P24  1  0.50000000  0.68497000  0.66547500  1
  P  P25  1  0.50000000  0.68063500  0.99370300  1
  P  P26  1  0.00000000  0.31824600  0.33892900  1
  P  P27  1  0.00000000  0.32431400  0.01006700  1
  P  P28  1  0.00000000  0.31897500  0.67183200  1
  P  P29  1  0.50000000  0.17517300  0.17670400  1
  P  P30  1  0.50000000  0.17892900  0.84071900  1
  P  P31  1  0.50000000  0.17636800  0.50819700  1
  O  O32  1  0.19706400  0.88370300  0.11410700  1
  O  O33  1  0.20094700  0.87668300  0.44538500  1
  O  O34  1  0.20028000  0.88303700  0.78129900  1
  O  O35  1  0.79972000  0.88303700  0.78129900  1
  O  O36  1  0.79905300  0.87668300  0.44538500  1
  O  O37  1  0.80293600  0.88370300  0.11410700  1
  O  O38  1  0.00000000  0.86638900  0.26355000  1
  O  O39  1  0.00000000  0.86881900  0.59664600  1
  O  O40  1  0.00000000  0.85122600  0.93083000  1
  O  O41  1  0.50000000  0.84941100  0.29824700  1
  O  O42  1  0.50000000  0.85545700  0.99284600  1
  O  O43  1  0.50000000  0.85497500  0.65193400  1
  O  O44  1  0.00000000  0.64872300  0.13388900  1
  O  O45  1  0.00000000  0.64588900  0.49416400  1
  O  O46  1  0.00000000  0.64505500  0.80258600  1
  O  O47  1  0.50000000  0.63580900  0.09931500  1
  O  O48  1  0.50000000  0.61937200  0.42310300  1
  O  O49  1  0.50000000  0.62129800  0.76522000  1
  O  O50  1  0.29930000  0.61647200  0.27531400  1
  O  O51  1  0.30313000  0.62172500  0.61622000  1
  O  O52  1  0.30078000  0.62230700  0.94753000  1
  O  O53  1  0.69687000  0.62172500  0.61622000  1
  O  O54  1  0.69922000  0.62230700  0.94753000  1
  O  O55  1  0.70070000  0.61647200  0.27531400  1
  O  O56  1  0.19892100  0.38289700  0.05503500  1
  O  O57  1  0.19801400  0.38154100  0.38490300  1
  O  O58  1  0.19863400  0.38066800  0.71666700  1
  O  O59  1  0.80107900  0.38289700  0.05503500  1
  O  O60  1  0.80198600  0.38154100  0.38490300  1
  O  O61  1  0.80136600  0.38066800  0.71666700  1
  O  O62  1  0.00000000  0.35831000  0.23456200  1
  O  O63  1  0.00000000  0.37283800  0.90510600  1
  O  O64  1  0.00000000  0.36478000  0.56714200  1
  O  O65  1  0.50000000  0.34879300  0.20155600  1
  O  O66  1  0.50000000  0.35317800  0.84846600  1
  O  O67  1  0.50000000  0.35427900  0.51596600  1
  O  O68  1  0.00000000  0.14602400  0.68945400  1
  O  O69  1  0.00000000  0.14842100  0.02477200  1
  O  O70  1  0.00000000  0.14631800  0.35962900  1
  O  O71  1  0.50000000  0.13497400  0.73567900  1
  O  O72  1  0.50000000  0.14002400  0.40090000  1
  O  O73  1  0.50000000  0.12738700  0.07405900  1
  O  O74  1  0.70106000  0.12139300  0.55289300  1
  O  O75  1  0.70149100  0.11529800  0.22138500  1
  O  O76  1  0.70284500  0.12264400  0.88551400  1
  O  O77  1  0.29850900  0.11529800  0.22138500  1
  O  O78  1  0.29894000  0.12139300  0.55289300  1
  O  O79  1  0.29715500  0.12264400  0.88551400  1
