# generated using pymatgen
data_LiNi4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13742900
_cell_length_b   9.53058700
_cell_length_c   16.16092900
_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   945.30608510
_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  0.00000000  0.24893400  0.45234900  1
  Li  Li1  1  0.00000000  0.75106600  0.54765100  1
  Li  Li2  1  0.50000000  0.25106600  0.95234900  1
  Li  Li3  1  0.50000000  0.74893400  0.04765100  1
  Ni  Ni4  1  0.00000000  0.53891000  0.09208600  1
  Ni  Ni5  1  0.00000000  0.99333200  0.14073100  1
  Ni  Ni6  1  0.00000000  0.00666800  0.85926900  1
  Ni  Ni7  1  0.00000000  0.46109000  0.90791400  1
  Ni  Ni8  1  0.75131400  0.75471100  0.29901800  1
  Ni  Ni9  1  0.75131400  0.24528900  0.70098200  1
  Ni  Ni10  1  0.74868600  0.25471100  0.20098200  1
  Ni  Ni11  1  0.74868600  0.74528900  0.79901800  1
  Ni  Ni12  1  0.50000000  0.96109000  0.59208600  1
  Ni  Ni13  1  0.50000000  0.50666800  0.64073100  1
  Ni  Ni14  1  0.50000000  0.03891000  0.40791400  1
  Ni  Ni15  1  0.50000000  0.49333200  0.35926900  1
  Ni  Ni16  1  0.25131400  0.74528900  0.79901800  1
  Ni  Ni17  1  0.25131400  0.25471100  0.20098200  1
  Ni  Ni18  1  0.24868600  0.75471100  0.29901800  1
  Ni  Ni19  1  0.24868600  0.24528900  0.70098200  1
  P  P20  1  0.00000000  0.20786300  0.03369400  1
  P  P21  1  0.00000000  0.05010600  0.33963900  1
  P  P22  1  0.00000000  0.45665600  0.28217000  1
  P  P23  1  0.00000000  0.54334400  0.71783000  1
  P  P24  1  0.00000000  0.94989400  0.66036100  1
  P  P25  1  0.00000000  0.79213700  0.96630600  1
  P  P26  1  0.50000000  0.95665600  0.21783000  1
  P  P27  1  0.50000000  0.29213700  0.53369400  1
  P  P28  1  0.50000000  0.55010600  0.16036100  1
  P  P29  1  0.50000000  0.70786300  0.46630600  1
  P  P30  1  0.50000000  0.04334400  0.78217000  1
  P  P31  1  0.50000000  0.44989400  0.83963900  1
  O  O32  1  0.00000000  0.36919900  0.02025700  1
  O  O33  1  0.00000000  0.11816800  0.24843600  1
  O  O34  1  0.00000000  0.39845700  0.18890300  1
  O  O35  1  0.00000000  0.85981000  0.05010900  1
  O  O36  1  0.00000000  0.61905600  0.27761500  1
  O  O37  1  0.00000000  0.11237000  0.66926200  1
  O  O38  1  0.00000000  0.88763000  0.33073800  1
  O  O39  1  0.00000000  0.38094400  0.72238500  1
  O  O40  1  0.00000000  0.14019000  0.94989100  1
  O  O41  1  0.00000000  0.60154300  0.81109700  1
  O  O42  1  0.00000000  0.88183200  0.75156400  1
  O  O43  1  0.00000000  0.63080100  0.97974300  1
  O  O44  1  0.79712800  0.16257500  0.08731300  1
  O  O45  1  0.79712800  0.83742500  0.91268700  1
  O  O46  1  0.80224300  0.89612000  0.61178500  1
  O  O47  1  0.80224300  0.10388000  0.38821500  1
  O  O48  1  0.78931400  0.39383900  0.31850000  1
  O  O49  1  0.78931400  0.60616100  0.68150000  1
  O  O50  1  0.71068600  0.89383900  0.18150000  1
  O  O51  1  0.71068600  0.10616100  0.81850000  1
  O  O52  1  0.69775700  0.39612000  0.88821500  1
  O  O53  1  0.69775700  0.60388000  0.11178500  1
  O  O54  1  0.70287200  0.33742500  0.58731300  1
  O  O55  1  0.70287200  0.66257500  0.41268700  1
  O  O56  1  0.50000000  0.38763000  0.16926200  1
  O  O57  1  0.50000000  0.35981000  0.44989100  1
  O  O58  1  0.50000000  0.13080100  0.52025700  1
  O  O59  1  0.50000000  0.64019000  0.55010900  1
  O  O60  1  0.50000000  0.11905600  0.22238500  1
  O  O61  1  0.50000000  0.86919900  0.47974300  1
  O  O62  1  0.50000000  0.88094400  0.77761500  1
  O  O63  1  0.50000000  0.61816800  0.25156400  1
  O  O64  1  0.50000000  0.89845700  0.31109700  1
  O  O65  1  0.50000000  0.10154300  0.68890300  1
  O  O66  1  0.50000000  0.61237000  0.83073800  1
  O  O67  1  0.50000000  0.38183200  0.74843600  1
  O  O68  1  0.29712800  0.66257500  0.41268700  1
  O  O69  1  0.29712800  0.33742500  0.58731300  1
  O  O70  1  0.30224300  0.60388000  0.11178500  1
  O  O71  1  0.30224300  0.39612000  0.88821500  1
  O  O72  1  0.28931400  0.89383900  0.18150000  1
  O  O73  1  0.28931400  0.10616100  0.81850000  1
  O  O74  1  0.21068600  0.39383900  0.31850000  1
  O  O75  1  0.21068600  0.60616100  0.68150000  1
  O  O76  1  0.19775700  0.10388000  0.38821500  1
  O  O77  1  0.19775700  0.89612000  0.61178500  1
  O  O78  1  0.20287200  0.16257500  0.08731300  1
  O  O79  1  0.20287200  0.83742500  0.91268700  1
