# generated using pymatgen
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69323200
_cell_length_b   8.48745500
_cell_length_c   17.27548465
_cell_angle_alpha   61.97458120
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiPO4
_chemical_formula_sum   'Li12 Ni12 P12 O48'
_cell_volume   995.74694159
_cell_formula_units_Z   12
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  0.98334200  0.27639500  0.93691400  1
  Li  Li1  1  0.03194500  0.63564900  0.58577500  1
  Li  Li2  1  0.86505800  0.01421600  0.24362300  1
  Li  Li3  1  0.36505800  0.98578400  0.25637700  1
  Li  Li4  1  0.53194500  0.36435100  0.91422500  1
  Li  Li5  1  0.48334200  0.72360500  0.56308600  1
  Li  Li6  1  0.51665800  0.27639500  0.43691400  1
  Li  Li7  1  0.46805500  0.63564900  0.08577500  1
  Li  Li8  1  0.63494200  0.01421600  0.74362300  1
  Li  Li9  1  0.13494200  0.98578400  0.75637700  1
  Li  Li10  1  0.96805500  0.36435100  0.41422500  1
  Li  Li11  1  0.01665800  0.72360500  0.06308600  1
  Ni  Ni12  1  0.66975300  0.65060600  0.40166600  1
  Ni  Ni13  1  0.82784900  0.32908200  0.75677000  1
  Ni  Ni14  1  0.66671100  0.99913100  0.08115600  1
  Ni  Ni15  1  0.16671100  0.00086900  0.41884400  1
  Ni  Ni16  1  0.32784900  0.67091800  0.74323000  1
  Ni  Ni17  1  0.16975300  0.34939400  0.09833400  1
  Ni  Ni18  1  0.83024700  0.65060600  0.90166600  1
  Ni  Ni19  1  0.67215100  0.32908200  0.25677000  1
  Ni  Ni20  1  0.83328900  0.99913100  0.58115600  1
  Ni  Ni21  1  0.33328900  0.00086900  0.91884400  1
  Ni  Ni22  1  0.17215100  0.67091800  0.24323000  1
  Ni  Ni23  1  0.33024700  0.34939400  0.59833400  1
  P  P24  1  0.26070300  0.64621900  0.41281200  1
  P  P25  1  0.22382500  0.31833100  0.76876500  1
  P  P26  1  0.26645600  0.02857500  0.07530500  1
  P  P27  1  0.76645600  0.97142500  0.42469500  1
  P  P28  1  0.72382500  0.68166900  0.73123500  1
  P  P29  1  0.76070300  0.35378100  0.08718800  1
  P  P30  1  0.23929700  0.64621900  0.91281200  1
  P  P31  1  0.27617500  0.31833100  0.26876500  1
  P  P32  1  0.23354400  0.02857500  0.57530500  1
  P  P33  1  0.73354400  0.97142500  0.92469500  1
  P  P34  1  0.77617500  0.68166900  0.23123500  1
  P  P35  1  0.73929700  0.35378100  0.58718800  1
  O  O36  1  0.56804900  0.42925900  0.60436400  1
  O  O37  1  0.88856200  0.40527900  0.63181200  1
  O  O38  1  0.78426000  0.09236800  0.96643900  1
  O  O39  1  0.05059900  0.27142700  0.82082500  1
  O  O40  1  0.37196700  0.26700400  0.83701500  1
  O  O41  1  0.75959100  0.79300400  0.28128200  1
  O  O42  1  0.22514100  0.57219800  0.51181000  1
  O  O43  1  0.28094700  0.90907000  0.17604600  1
  O  O44  1  0.44384000  0.12135400  0.03820800  1
  O  O45  1  0.22888400  0.51753100  0.69759700  1
  O  O46  1  0.27214400  0.85284100  0.37052900  1
  O  O47  1  0.13111200  0.17973800  0.05022000  1
  O  O48  1  0.63111200  0.82026200  0.44978000  1
  O  O49  1  0.77214400  0.14715900  0.12947100  1
  O  O50  1  0.72888400  0.48246900  0.80240300  1
  O  O51  1  0.94384000  0.87864600  0.46179200  1
  O  O52  1  0.78094700  0.09093000  0.32395400  1
  O  O53  1  0.72514100  0.42780200  0.98819000  1
  O  O54  1  0.87196700  0.73299600  0.66298500  1
  O  O55  1  0.25959100  0.20699600  0.21871800  1
  O  O56  1  0.55059900  0.72857300  0.67917500  1
  O  O57  1  0.28426000  0.90763200  0.53356100  1
  O  O58  1  0.38856200  0.59472100  0.86818800  1
  O  O59  1  0.06804900  0.57074100  0.89563600  1
  O  O60  1  0.93195100  0.42925900  0.10436400  1
  O  O61  1  0.61143800  0.40527900  0.13181200  1
  O  O62  1  0.71574000  0.09236800  0.46643900  1
  O  O63  1  0.44940100  0.27142700  0.32082500  1
  O  O64  1  0.74040900  0.79300400  0.78128200  1
  O  O65  1  0.12803300  0.26700400  0.33701500  1
  O  O66  1  0.27485900  0.57219800  0.01181000  1
  O  O67  1  0.21905300  0.90907000  0.67604600  1
  O  O68  1  0.05616000  0.12135400  0.53820800  1
  O  O69  1  0.27111600  0.51753100  0.19759700  1
  O  O70  1  0.22785600  0.85284100  0.87052900  1
  O  O71  1  0.36888800  0.17973800  0.55022000  1
  O  O72  1  0.86888800  0.82026200  0.94978000  1
  O  O73  1  0.72785600  0.14715900  0.62947100  1
  O  O74  1  0.77111600  0.48246900  0.30240300  1
  O  O75  1  0.55616000  0.87864600  0.96179200  1
  O  O76  1  0.71905300  0.09093000  0.82395400  1
  O  O77  1  0.77485900  0.42780200  0.48819000  1
  O  O78  1  0.24040900  0.20699600  0.71871800  1
  O  O79  1  0.62803300  0.73299600  0.16298500  1
  O  O80  1  0.94940100  0.72857300  0.17917500  1
  O  O81  1  0.21574000  0.90763200  0.03356100  1
  O  O82  1  0.11143800  0.59472100  0.36818800  1
  O  O83  1  0.43195100  0.57074100  0.39563600  1
