# generated using pymatgen
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41899700
_cell_length_b   8.53777200
_cell_length_c   17.20192681
_cell_angle_alpha   61.86576613
_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   960.85806461
_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  0.97879600  0.29553100  0.93286100  1
  Li  Li1  1  0.02818500  0.64212600  0.58562500  1
  Li  Li2  1  0.06330300  0.00129900  0.24314100  1
  Li  Li3  1  0.56330300  0.99870100  0.25685900  1
  Li  Li4  1  0.52818500  0.35787400  0.91437500  1
  Li  Li5  1  0.47879600  0.70446900  0.56713900  1
  Li  Li6  1  0.52120400  0.29553100  0.43286100  1
  Li  Li7  1  0.47181500  0.64212600  0.08562500  1
  Li  Li8  1  0.43669700  0.00129900  0.74314100  1
  Li  Li9  1  0.93669700  0.99870100  0.75685900  1
  Li  Li10  1  0.97181500  0.35787400  0.41437500  1
  Li  Li11  1  0.02120400  0.70446900  0.06713900  1
  Ni  Ni12  1  0.68894400  0.64681300  0.40524900  1
  Ni  Ni13  1  0.81412600  0.32770300  0.76206300  1
  Ni  Ni14  1  0.68022100  0.00177000  0.07910000  1
  Ni  Ni15  1  0.18022100  0.99823000  0.42090000  1
  Ni  Ni16  1  0.31412600  0.67229700  0.73793700  1
  Ni  Ni17  1  0.18894400  0.35318700  0.09475100  1
  Ni  Ni18  1  0.81105600  0.64681300  0.90524900  1
  Ni  Ni19  1  0.68587400  0.32770300  0.26206300  1
  Ni  Ni20  1  0.81977900  0.00177000  0.57910000  1
  Ni  Ni21  1  0.31977900  0.99823000  0.92090000  1
  Ni  Ni22  1  0.18587400  0.67229700  0.23793700  1
  Ni  Ni23  1  0.31105600  0.35318700  0.59475100  1
  P  P24  1  0.26490500  0.65716900  0.40590700  1
  P  P25  1  0.22708500  0.30832200  0.76709700  1
  P  P26  1  0.26038900  0.02971600  0.07781200  1
  P  P27  1  0.76038900  0.97028400  0.42218800  1
  P  P28  1  0.72708500  0.69167800  0.73290300  1
  P  P29  1  0.76490500  0.34283100  0.09409300  1
  P  P30  1  0.23509500  0.65716900  0.90590700  1
  P  P31  1  0.27291500  0.30832200  0.26709700  1
  P  P32  1  0.23961100  0.02971600  0.57781200  1
  P  P33  1  0.73961100  0.97028400  0.92218800  1
  P  P34  1  0.77291500  0.69167800  0.23290300  1
  P  P35  1  0.73509500  0.34283100  0.59409300  1
  O  O36  1  0.44271500  0.57958400  0.38990500  1
  O  O37  1  0.88662000  0.40192700  0.63786600  1
  O  O38  1  0.38393800  0.25519800  0.83492500  1
  O  O39  1  0.22695700  0.58411100  0.50591400  1
  O  O40  1  0.78722000  0.09967100  0.95994400  1
  O  O41  1  0.76070900  0.80499400  0.28200800  1
  O  O42  1  0.26099100  0.92298200  0.18026800  1
  O  O43  1  0.05083200  0.26743200  0.82218200  1
  O  O44  1  0.44632300  0.11873300  0.04070200  1
  O  O45  1  0.23200200  0.50715600  0.69456400  1
  O  O46  1  0.12541700  0.18726800  0.04592000  1
  O  O47  1  0.26987600  0.86334600  0.36131400  1
  O  O48  1  0.76987600  0.13665400  0.13868600  1
  O  O49  1  0.62541700  0.81273200  0.45408000  1
  O  O50  1  0.73200200  0.49284400  0.80543600  1
  O  O51  1  0.94632300  0.88126700  0.45929800  1
  O  O52  1  0.55083200  0.73256800  0.67781800  1
  O  O53  1  0.76099100  0.07701800  0.31973200  1
  O  O54  1  0.26070900  0.19500600  0.21799200  1
  O  O55  1  0.28722000  0.90032900  0.54005600  1
  O  O56  1  0.72695700  0.41588900  0.99408600  1
  O  O57  1  0.88393800  0.74480200  0.66507500  1
  O  O58  1  0.38662000  0.59807300  0.86213400  1
  O  O59  1  0.94271500  0.42041600  0.11009500  1
  O  O60  1  0.05728500  0.57958400  0.88990500  1
  O  O61  1  0.61338000  0.40192700  0.13786600  1
  O  O62  1  0.11606200  0.25519800  0.33492500  1
  O  O63  1  0.27304300  0.58411100  0.00591400  1
  O  O64  1  0.71278000  0.09967100  0.45994400  1
  O  O65  1  0.73929100  0.80499400  0.78200800  1
  O  O66  1  0.23900900  0.92298200  0.68026800  1
  O  O67  1  0.44916800  0.26743200  0.32218200  1
  O  O68  1  0.05367700  0.11873300  0.54070200  1
  O  O69  1  0.26799800  0.50715600  0.19456400  1
  O  O70  1  0.37458300  0.18726800  0.54592000  1
  O  O71  1  0.23012400  0.86334600  0.86131400  1
  O  O72  1  0.73012400  0.13665400  0.63868600  1
  O  O73  1  0.76799800  0.49284400  0.30543600  1
  O  O74  1  0.87458300  0.81273200  0.95408000  1
  O  O75  1  0.55367700  0.88126700  0.95929800  1
  O  O76  1  0.94916800  0.73256800  0.17781800  1
  O  O77  1  0.73900900  0.07701800  0.81973200  1
  O  O78  1  0.23929100  0.19500600  0.71799200  1
  O  O79  1  0.21278000  0.90032900  0.04005600  1
  O  O80  1  0.77304300  0.41588900  0.49408600  1
  O  O81  1  0.61606200  0.74480200  0.16507500  1
  O  O82  1  0.11338000  0.59807300  0.36213400  1
  O  O83  1  0.55728500  0.42041600  0.61009500  1
