# generated using pymatgen data_Li3Ni2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81583000 _cell_length_b 8.73881600 _cell_length_c 15.07880078 _cell_angle_alpha 54.91636795 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ni2(PO4)3 _chemical_formula_sum 'Li12 Ni8 P12 O48' _cell_volume 950.61039540 _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 0.27021700 0.03362800 0.68060600 1.0 Li Li1 1 0.72978300 0.96637200 0.31939400 1.0 Li Li2 1 0.20839300 0.33313600 0.25209900 1.0 Li Li3 1 0.29160700 0.33313600 0.75209900 1.0 Li Li4 1 0.08526100 0.61743600 0.29810500 1.0 Li Li5 1 0.22978300 0.03362800 0.18060600 1.0 Li Li6 1 0.58526100 0.38256400 0.20189500 1.0 Li Li7 1 0.41473900 0.61743600 0.79810500 1.0 Li Li8 1 0.77021700 0.96637200 0.81939400 1.0 Li Li9 1 0.70839300 0.66686400 0.24790100 1.0 Li Li10 1 0.79160700 0.66686400 0.74790100 1.0 Li Li11 1 0.91473900 0.38256400 0.70189500 1.0 Ni Ni12 1 0.54509300 0.13054100 0.11453500 1.0 Ni Ni13 1 0.04509300 0.86945900 0.38546500 1.0 Ni Ni14 1 0.96222000 0.35729100 0.89074000 1.0 Ni Ni15 1 0.03778000 0.64270900 0.10926000 1.0 Ni Ni16 1 0.95490700 0.13054100 0.61453500 1.0 Ni Ni17 1 0.45490700 0.86945900 0.88546500 1.0 Ni Ni18 1 0.53778000 0.35729100 0.39074000 1.0 Ni Ni19 1 0.46222000 0.64270900 0.60926000 1.0 P P20 1 0.24848600 0.45830500 0.50542200 1.0 P P21 1 0.89994000 0.95386100 0.14858700 1.0 P P22 1 0.25151400 0.45830500 0.00542200 1.0 P P23 1 0.74848600 0.54169500 0.99457800 1.0 P P24 1 0.38965000 0.74747000 0.14775900 1.0 P P25 1 0.88965000 0.25253000 0.35224100 1.0 P P26 1 0.11035000 0.74747000 0.64775900 1.0 P P27 1 0.60006000 0.95386100 0.64858700 1.0 P P28 1 0.10006000 0.04613900 0.85141300 1.0 P P29 1 0.75151400 0.54169500 0.49457800 1.0 P P30 1 0.39994000 0.04613900 0.35141300 1.0 P P31 1 0.61035000 0.25253000 0.85224100 1.0 O O32 1 0.98688200 0.59683000 0.71747700 1.0 O O33 1 0.43870000 0.88215000 0.46499000 1.0 O O34 1 0.66173000 0.72972000 0.92608300 1.0 O O35 1 0.27209800 0.66263700 0.68592100 1.0 O O36 1 0.76094200 0.96308900 0.68762900 1.0 O O37 1 0.56130000 0.11785000 0.53501000 1.0 O O38 1 0.26094200 0.03691100 0.81237100 1.0 O O39 1 0.93870000 0.11785000 0.03501000 1.0 O O40 1 0.47525900 0.93319700 0.72857300 1.0 O O41 1 0.90077900 0.76078600 0.16334800 1.0 O O42 1 0.17583100 0.47733600 0.09090300 1.0 O O43 1 0.23905800 0.03691100 0.31237100 1.0 O O44 1 0.51311800 0.59683000 0.21747700 1.0 O O45 1 0.97525900 0.06680300 0.77142700 1.0 O O46 1 0.40077900 0.23921400 0.33665200 1.0 O O47 1 0.85923600 0.55178900 0.07051300 1.0 O O48 1 0.09786500 0.90937600 0.66202900 1.0 O O49 1 0.59922100 0.76078600 0.66334800 1.0 O O50 1 0.40213500 0.90937600 0.16202900 1.0 O O51 1 0.72790200 0.33736300 0.31407900 1.0 O O52 1 0.35552600 0.62379500 0.92380200 1.0 O O53 1 0.22790200 0.66263700 0.18592100 1.0 O O54 1 0.83827000 0.72972000 0.42608300 1.0 O O55 1 0.73905800 0.96308900 0.18762900 1.0 O O56 1 0.64447400 0.37620500 0.07619800 1.0 O O57 1 0.82416900 0.52266400 0.90909700 1.0 O O58 1 0.90213500 0.09062400 0.33797100 1.0 O O59 1 0.01311800 0.40317000 0.28252300 1.0 O O60 1 0.32416900 0.47733600 0.59090300 1.0 O O61 1 0.91604200 0.18036700 0.47042100 1.0 O O62 1 0.85552600 0.37620500 0.57619800 1.0 O O63 1 0.77209800 0.33736300 0.81407900 1.0 O O64 1 0.35923600 0.44821100 0.42948700 1.0 O O65 1 0.33827000 0.27028000 0.07391700 1.0 O O66 1 0.67583100 0.52266400 0.40909700 1.0 O O67 1 0.48688200 0.40317000 0.78252300 1.0 O O68 1 0.58395800 0.18036700 0.97042100 1.0 O O69 1 0.14447400 0.62379500 0.42380200 1.0 O O70 1 0.02474100 0.93319700 0.22857300 1.0 O O71 1 0.08395800 0.81963300 0.52957900 1.0 O O72 1 0.16173000 0.27028000 0.57391700 1.0 O O73 1 0.06130000 0.88215000 0.96499000 1.0 O O74 1 0.41604200 0.81963300 0.02957900 1.0 O O75 1 0.52474100 0.06680300 0.27142700 1.0 O O76 1 0.59786500 0.09062400 0.83797100 1.0 O O77 1 0.09922100 0.23921400 0.83665200 1.0 O O78 1 0.14076400 0.44821100 0.92948700 1.0 O O79 1 0.64076400 0.55178900 0.57051300 1.0