# generated using pymatgen data_Li15Ni8(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76539700 _cell_length_b 8.86776031 _cell_length_c 12.26930301 _cell_angle_alpha 89.90576860 _cell_angle_beta 89.89018846 _cell_angle_gamma 89.82512270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li15Ni8(PO4)12 _chemical_formula_sum 'Li15 Ni8 P12 O48' _cell_volume 953.67857256 _cell_formula_units_Z 1 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 0.77229800 0.28277400 0.18034700 1.0 Li Li1 1 0.26408200 0.70391700 0.18277300 1.0 Li Li2 1 0.42835000 0.94570900 0.21294600 1.0 Li Li3 1 0.92541900 0.55375200 0.28669900 1.0 Li Li4 1 0.43002400 0.44282800 0.28653200 1.0 Li Li5 1 0.25788200 0.20490800 0.31521900 1.0 Li Li6 1 0.76412500 0.80502400 0.31303500 1.0 Li Li7 1 0.23965800 0.20300400 0.68364500 1.0 Li Li8 1 0.73919000 0.79810600 0.68377400 1.0 Li Li9 1 0.07198200 0.44368700 0.71323400 1.0 Li Li10 1 0.57096100 0.55768000 0.71345500 1.0 Li Li11 1 0.57027600 0.05854800 0.78547600 1.0 Li Li12 1 0.07206000 0.94445500 0.78734700 1.0 Li Li13 1 0.73989900 0.29715200 0.81674100 1.0 Li Li14 1 0.23990300 0.70222500 0.81661800 1.0 Ni Ni15 1 0.45464600 0.24992800 0.10967000 1.0 Ni Ni16 1 0.95341000 0.75095300 0.10932800 1.0 Ni Ni17 1 0.45425700 0.74943700 0.39146200 1.0 Ni Ni18 1 0.95274600 0.24449100 0.38846500 1.0 Ni Ni19 1 0.54635400 0.25102700 0.61047200 1.0 Ni Ni20 1 0.04717900 0.75160200 0.60966800 1.0 Ni Ni21 1 0.04639200 0.25108900 0.89291100 1.0 Ni Ni22 1 0.54643500 0.74855300 0.89160700 1.0 P P23 1 0.74765000 0.04316100 0.99705200 1.0 P P24 1 0.24980200 0.95264500 0.99993600 1.0 P P25 1 0.60841600 0.60225600 0.14975900 1.0 P P26 1 0.59999000 0.10701800 0.35176100 1.0 P P27 1 0.10705900 0.89439300 0.34920900 1.0 P P28 1 0.24941600 0.45136900 0.50007000 1.0 P P29 1 0.75042100 0.54830000 0.50031100 1.0 P P30 1 0.89531500 0.10594300 0.64936300 1.0 P P31 1 0.39461200 0.89435400 0.64924800 1.0 P P32 1 0.39526100 0.39387400 0.85151500 1.0 P P33 1 0.89511800 0.60546500 0.85117000 1.0 P P34 1 0.10627300 0.39776400 0.15072700 1.0 O O35 1 0.57889700 0.64992700 0.03336700 1.0 O O36 1 0.07183300 0.34553100 0.03601200 1.0 O O37 1 0.16158400 0.84261500 0.07625100 1.0 O O38 1 0.66085500 0.15055400 0.07673100 1.0 O O39 1 0.35376700 0.04391700 0.07589300 1.0 O O40 1 0.84920900 0.94328100 0.06671100 1.0 O O41 1 0.59879200 0.42814000 0.16813400 1.0 O O42 1 0.09627700 0.57241300 0.16357000 1.0 O O43 1 0.26692800 0.34719200 0.19019700 1.0 O O44 1 0.76707200 0.65556200 0.19131300 1.0 O O45 1 0.97910300 0.33848800 0.22953500 1.0 O O46 1 0.47894600 0.67091800 0.22412300 1.0 O O47 1 0.98193500 0.81766100 0.27901000 1.0 O O48 1 0.47235800 0.17683300 0.27757600 1.0 O O49 1 0.26804200 0.84543400 0.30857200 1.0 O O50 1 0.75881000 0.16330500 0.31555200 1.0 O O51 1 0.09522200 0.06766500 0.33930200 1.0 O O52 1 0.59098100 0.93383600 0.33070100 1.0 O O53 1 0.35395800 0.54352000 0.42372500 1.0 O O54 1 0.85453900 0.45476400 0.42528800 1.0 O O55 1 0.66261400 0.65844600 0.42315900 1.0 O O56 1 0.16045800 0.34294600 0.42347100 1.0 O O57 1 0.57040800 0.14622900 0.47032200 1.0 O O58 1 0.07818100 0.84534300 0.46700000 1.0 O O59 1 0.92243000 0.15069600 0.53212300 1.0 O O60 1 0.42064300 0.85063600 0.53175900 1.0 O O61 1 0.33853500 0.34356400 0.57745100 1.0 O O62 1 0.83946500 0.65711500 0.57691700 1.0 O O63 1 0.64515900 0.45692600 0.57630200 1.0 O O64 1 0.14501900 0.54455700 0.57565400 1.0 O O65 1 0.40778100 0.06732200 0.67021200 1.0 O O66 1 0.90884300 0.93213300 0.66873000 1.0 O O67 1 0.73479200 0.15574900 0.69082000 1.0 O O68 1 0.23374700 0.84479000 0.69074700 1.0 O O69 1 0.02293100 0.17654500 0.72327400 1.0 O O70 1 0.52220300 0.82105000 0.72217800 1.0 O O71 1 0.52313900 0.32289800 0.77707300 1.0 O O72 1 0.02314500 0.67612900 0.77686600 1.0 O O73 1 0.23447100 0.34476600 0.81051200 1.0 O O74 1 0.73467100 0.65535600 0.80945600 1.0 O O75 1 0.90853200 0.43187000 0.83166400 1.0 O O76 1 0.40861900 0.56727200 0.83170600 1.0 O O77 1 0.14625400 0.04496800 0.92381900 1.0 O O78 1 0.63927600 0.95860600 0.91968400 1.0 O O79 1 0.83825700 0.15598600 0.92409500 1.0 O O80 1 0.33840100 0.84229500 0.92374800 1.0 O O81 1 0.42259300 0.34753300 0.96815200 1.0 O O82 1 0.92196700 0.65083300 0.96759700 1.0