# generated using pymatgen
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24392000
_cell_length_b   9.77029800
_cell_length_c   14.17130400
_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   864.51982075
_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  0.05723500  0.74638400  0.25000000  1
  Li  Li1  1  0.44276500  0.24638400  0.75000000  1
  Li  Li2  1  0.55723500  0.75361600  0.25000000  1
  Li  Li3  1  0.94276500  0.25361600  0.75000000  1
  Ni  Ni4  1  0.14707100  0.45784900  0.59629800  1
  Ni  Ni5  1  0.14707100  0.45784900  0.90370200  1
  Ni  Ni6  1  0.13647100  0.85195600  0.61636600  1
  Ni  Ni7  1  0.13647100  0.85195600  0.88363400  1
  Ni  Ni8  1  0.36352900  0.35195600  0.11636600  1
  Ni  Ni9  1  0.36352900  0.35195600  0.38363400  1
  Ni  Ni10  1  0.35292900  0.95784900  0.09629800  1
  Ni  Ni11  1  0.35292900  0.95784900  0.40370200  1
  Ni  Ni12  1  0.64707100  0.04215100  0.59629800  1
  Ni  Ni13  1  0.64707100  0.04215100  0.90370200  1
  Ni  Ni14  1  0.63647100  0.64804400  0.61636600  1
  Ni  Ni15  1  0.63647100  0.64804400  0.88363400  1
  Ni  Ni16  1  0.86352900  0.14804400  0.11636600  1
  Ni  Ni17  1  0.86352900  0.14804400  0.38363400  1
  Ni  Ni18  1  0.85292900  0.54215100  0.40370200  1
  Ni  Ni19  1  0.85292900  0.54215100  0.09629800  1
  P  P20  1  0.99189500  0.40285300  0.25000000  1
  P  P21  1  0.13743900  0.13084200  0.57416600  1
  P  P22  1  0.13743900  0.13084200  0.92583400  1
  P  P23  1  0.36256100  0.63084200  0.07416600  1
  P  P24  1  0.36256100  0.63084200  0.42583400  1
  P  P25  1  0.50810500  0.90285300  0.75000000  1
  P  P26  1  0.49189500  0.09714700  0.25000000  1
  P  P27  1  0.63743900  0.36915800  0.57416600  1
  P  P28  1  0.63743900  0.36915800  0.92583400  1
  P  P29  1  0.86256100  0.86915800  0.42583400  1
  P  P30  1  0.86256100  0.86915800  0.07416600  1
  P  P31  1  0.00810500  0.59714700  0.75000000  1
  O  O32  1  0.03512700  0.96679400  0.11810600  1
  O  O33  1  0.03512700  0.96679400  0.38189400  1
  O  O34  1  0.06107600  0.44344000  0.75000000  1
  O  O35  1  0.10583300  0.65460200  0.65791200  1
  O  O36  1  0.10583300  0.65460200  0.84208800  1
  O  O37  1  0.06018400  0.20635500  0.01388300  1
  O  O38  1  0.06018400  0.20635500  0.48611700  1
  O  O39  1  0.17875200  0.52096500  0.05067600  1
  O  O40  1  0.17875200  0.52096500  0.44932400  1
  O  O41  1  0.21279100  0.23820400  0.64490000  1
  O  O42  1  0.21279100  0.23820400  0.85510000  1
  O  O43  1  0.23701100  0.37959000  0.25000000  1
  O  O44  1  0.26298900  0.87959000  0.75000000  1
  O  O45  1  0.28720900  0.73820400  0.35510000  1
  O  O46  1  0.28720900  0.73820400  0.14490000  1
  O  O47  1  0.32124800  0.02096500  0.55067600  1
  O  O48  1  0.32124800  0.02096500  0.94932400  1
  O  O49  1  0.43981600  0.70635500  0.51388300  1
  O  O50  1  0.43981600  0.70635500  0.98611700  1
  O  O51  1  0.39416700  0.15460200  0.15791200  1
  O  O52  1  0.39416700  0.15460200  0.34208800  1
  O  O53  1  0.43892400  0.94344000  0.25000000  1
  O  O54  1  0.46487300  0.46679400  0.61810600  1
  O  O55  1  0.46487300  0.46679400  0.88189400  1
  O  O56  1  0.53512700  0.53320600  0.11810600  1
  O  O57  1  0.53512700  0.53320600  0.38189400  1
  O  O58  1  0.56107600  0.05656000  0.75000000  1
  O  O59  1  0.60583300  0.84539800  0.65791200  1
  O  O60  1  0.60583300  0.84539800  0.84208800  1
  O  O61  1  0.56018400  0.29364500  0.01388300  1
  O  O62  1  0.56018400  0.29364500  0.48611700  1
  O  O63  1  0.67875200  0.97903500  0.44932400  1
  O  O64  1  0.67875200  0.97903500  0.05067600  1
  O  O65  1  0.71279100  0.26179600  0.64490000  1
  O  O66  1  0.71279100  0.26179600  0.85510000  1
  O  O67  1  0.73701100  0.12041000  0.25000000  1
  O  O68  1  0.76298900  0.62041000  0.75000000  1
  O  O69  1  0.78720900  0.76179600  0.14490000  1
  O  O70  1  0.78720900  0.76179600  0.35510000  1
  O  O71  1  0.82124800  0.47903500  0.55067600  1
  O  O72  1  0.82124800  0.47903500  0.94932400  1
  O  O73  1  0.93981600  0.79364500  0.51388300  1
  O  O74  1  0.93981600  0.79364500  0.98611700  1
  O  O75  1  0.89416700  0.34539800  0.15791200  1
  O  O76  1  0.89416700  0.34539800  0.34208800  1
  O  O77  1  0.93892400  0.55656000  0.25000000  1
  O  O78  1  0.96487300  0.03320600  0.61810600  1
  O  O79  1  0.96487300  0.03320600  0.88189400  1
