# generated using pymatgen
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68368700
_cell_length_b   10.21527700
_cell_length_c   12.99434700
_cell_angle_alpha   90.00000000
_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   1019.93917455
_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  0.75000000  0.27452800  0.25000000  1
  Li  Li1  1  0.75000000  0.77452800  0.25000000  1
  Li  Li2  1  0.25000000  0.72547200  0.75000000  1
  Li  Li3  1  0.25000000  0.22547200  0.75000000  1
  Ni  Ni4  1  0.11222300  0.79778800  0.02927700  1
  Ni  Ni5  1  0.38777700  0.29778800  0.02927700  1
  Ni  Ni6  1  0.39998400  0.00668600  0.16051400  1
  Ni  Ni7  1  0.10001600  0.50668600  0.16051400  1
  Ni  Ni8  1  0.39998400  0.50668600  0.33948600  1
  Ni  Ni9  1  0.10001600  0.00668600  0.33948600  1
  Ni  Ni10  1  0.11222300  0.29778800  0.47072300  1
  Ni  Ni11  1  0.38777700  0.79778800  0.47072300  1
  Ni  Ni12  1  0.88777700  0.70221200  0.52927700  1
  Ni  Ni13  1  0.61222300  0.20221200  0.52927700  1
  Ni  Ni14  1  0.60001600  0.49331400  0.66051400  1
  Ni  Ni15  1  0.89998400  0.99331400  0.66051400  1
  Ni  Ni16  1  0.60001600  0.99331400  0.83948600  1
  Ni  Ni17  1  0.89998400  0.49331400  0.83948600  1
  Ni  Ni18  1  0.61222300  0.70221200  0.97072300  1
  Ni  Ni19  1  0.88777700  0.20221200  0.97072300  1
  P  P20  1  0.74590600  0.42879200  0.07073400  1
  P  P21  1  0.75409400  0.92879200  0.07073400  1
  P  P22  1  0.25000000  0.24886000  0.25000000  1
  P  P23  1  0.25000000  0.74886000  0.25000000  1
  P  P24  1  0.74590600  0.92879200  0.42926600  1
  P  P25  1  0.75409400  0.42879200  0.42926600  1
  P  P26  1  0.24590600  0.57120800  0.57073400  1
  P  P27  1  0.25409400  0.07120800  0.57073400  1
  P  P28  1  0.75000000  0.75114000  0.75000000  1
  P  P29  1  0.75000000  0.25114000  0.75000000  1
  P  P30  1  0.24590600  0.07120800  0.92926600  1
  P  P31  1  0.25409400  0.57120800  0.92926600  1
  O  O32  1  0.14681900  0.60120900  0.03128900  1
  O  O33  1  0.35318100  0.10120900  0.03128900  1
  O  O34  1  0.65004200  0.55812700  0.06268500  1
  O  O35  1  0.84995800  0.05812700  0.06268500  1
  O  O36  1  0.87423700  0.80818800  0.08727200  1
  O  O37  1  0.62576300  0.30818800  0.08727200  1
  O  O38  1  0.62599700  0.92347000  0.16284000  1
  O  O39  1  0.87400300  0.42347000  0.16284000  1
  O  O40  1  0.25203700  0.84365300  0.15430300  1
  O  O41  1  0.24796300  0.34365300  0.15430300  1
  O  O42  1  0.08444900  0.66371400  0.24838600  1
  O  O43  1  0.41555100  0.16371400  0.24838600  1
  O  O44  1  0.08444900  0.16371400  0.25161400  1
  O  O45  1  0.41555100  0.66371400  0.25161400  1
  O  O46  1  0.25203700  0.34365300  0.34569700  1
  O  O47  1  0.24796300  0.84365300  0.34569700  1
  O  O48  1  0.87400300  0.92347000  0.33716000  1
  O  O49  1  0.62599700  0.42347000  0.33716000  1
  O  O50  1  0.87423700  0.30818800  0.41272800  1
  O  O51  1  0.62576300  0.80818800  0.41272800  1
  O  O52  1  0.84995800  0.55812700  0.43731500  1
  O  O53  1  0.65004200  0.05812700  0.43731500  1
  O  O54  1  0.35318100  0.60120900  0.46871100  1
  O  O55  1  0.14681900  0.10120900  0.46871100  1
  O  O56  1  0.64681900  0.39879100  0.53128900  1
  O  O57  1  0.85318100  0.89879100  0.53128900  1
  O  O58  1  0.15004200  0.44187300  0.56268500  1
  O  O59  1  0.34995800  0.94187300  0.56268500  1
  O  O60  1  0.12576300  0.69181200  0.58727200  1
  O  O61  1  0.37423700  0.19181200  0.58727200  1
  O  O62  1  0.12599700  0.07653000  0.66284000  1
  O  O63  1  0.37400300  0.57653000  0.66284000  1
  O  O64  1  0.74796300  0.65634700  0.65430300  1
  O  O65  1  0.75203700  0.15634700  0.65430300  1
  O  O66  1  0.58444900  0.33628600  0.74838600  1
  O  O67  1  0.91555100  0.83628600  0.74838600  1
  O  O68  1  0.58444900  0.83628600  0.75161400  1
  O  O69  1  0.91555100  0.33628600  0.75161400  1
  O  O70  1  0.74796300  0.15634700  0.84569700  1
  O  O71  1  0.75203700  0.65634700  0.84569700  1
  O  O72  1  0.12599700  0.57653000  0.83716000  1
  O  O73  1  0.37400300  0.07653000  0.83716000  1
  O  O74  1  0.12576300  0.19181200  0.91272800  1
  O  O75  1  0.37423700  0.69181200  0.91272800  1
  O  O76  1  0.15004200  0.94187300  0.93731500  1
  O  O77  1  0.34995800  0.44187300  0.93731500  1
  O  O78  1  0.64681900  0.89879100  0.96871100  1
  O  O79  1  0.85318100  0.39879100  0.96871100  1
