# generated using pymatgen data_Li5AlO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88488207 _cell_length_b 9.00464381 _cell_length_c 9.03579114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5AlO4 _chemical_formula_sum 'Li40 Al8 O32' _cell_volume 722.91026226 _cell_formula_units_Z 8 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 0.86818061 0.14659587 0.62040468 1.0 Li Li1 1 0.36818061 0.85340413 0.87959532 1.0 Li Li2 1 0.63181939 0.64659587 0.37959532 1.0 Li Li3 1 0.13181939 0.35340413 0.12040468 1.0 Li Li4 1 0.13181939 0.85340413 0.37959532 1.0 Li Li5 1 0.63181939 0.14659587 0.12040468 1.0 Li Li6 1 0.36818061 0.35340413 0.62040468 1.0 Li Li7 1 0.86818061 0.64659587 0.87959532 1.0 Li Li8 1 0.83314267 0.10605553 0.88043315 1.0 Li Li9 1 0.33314267 0.89394447 0.61956685 1.0 Li Li10 1 0.66685733 0.60605553 0.11956685 1.0 Li Li11 1 0.16685733 0.39394447 0.38043315 1.0 Li Li12 1 0.16685733 0.89394447 0.11956685 1.0 Li Li13 1 0.66685733 0.10605553 0.38043315 1.0 Li Li14 1 0.33314267 0.39394447 0.88043315 1.0 Li Li15 1 0.83314267 0.60605553 0.61956685 1.0 Li Li16 1 0.90035135 0.12716554 0.14414898 1.0 Li Li17 1 0.40035135 0.87283446 0.35585102 1.0 Li Li18 1 0.59964865 0.62716554 0.85585102 1.0 Li Li19 1 0.86236926 0.88614477 0.39791859 1.0 Li Li20 1 0.09964865 0.87283446 0.85585102 1.0 Li Li21 1 0.59964865 0.12716554 0.64414898 1.0 Li Li22 1 0.40035135 0.37283446 0.14414898 1.0 Li Li23 1 0.90035135 0.62716554 0.35585102 1.0 Li Li24 1 0.89740574 0.38152510 0.84086660 1.0 Li Li25 1 0.39740574 0.61847490 0.65913340 1.0 Li Li26 1 0.60259426 0.88152510 0.15913340 1.0 Li Li27 1 0.10259426 0.11847490 0.34086660 1.0 Li Li28 1 0.10259426 0.61847490 0.15913340 1.0 Li Li29 1 0.60259426 0.38152510 0.34086660 1.0 Li Li30 1 0.39740574 0.11847490 0.84086660 1.0 Li Li31 1 0.89740574 0.88152510 0.65913340 1.0 Li Li32 1 0.86236926 0.38614477 0.10208141 1.0 Li Li33 1 0.36236926 0.61385523 0.39791859 1.0 Li Li34 1 0.63763074 0.88614477 0.89791859 1.0 Li Li35 1 0.13763074 0.11385523 0.60208141 1.0 Li Li36 1 0.13763074 0.61385523 0.89791859 1.0 Li Li37 1 0.63763074 0.38614477 0.60208141 1.0 Li Li38 1 0.36236926 0.11385523 0.10208141 1.0 Li Li39 1 0.09964865 0.37283446 0.64414898 1.0 Al Al40 1 0.88373688 0.35574737 0.37707874 1.0 Al Al41 1 0.38373688 0.64425263 0.12292126 1.0 Al Al42 1 0.61626312 0.85574737 0.62292126 1.0 Al Al43 1 0.11626312 0.14425263 0.87707874 1.0 Al Al44 1 0.11626312 0.64425263 0.62292126 1.0 Al Al45 1 0.61626312 0.35574737 0.87707874 1.0 Al Al46 1 0.38373688 0.14425263 0.37707874 1.0 Al Al47 1 0.88373688 0.85574737 0.12292126 1.0 O O48 1 0.76742054 0.25189278 0.25654931 1.0 O O49 1 0.26742054 0.74810722 0.24345069 1.0 O O50 1 0.73257946 0.75189278 0.74345069 1.0 O O51 1 0.23257946 0.24810722 0.75654931 1.0 O O52 1 0.23257946 0.74810722 0.74345069 1.0 O O53 1 0.73257946 0.25189278 0.75654931 1.0 O O54 1 0.26742054 0.24810722 0.25654931 1.0 O O55 1 0.76742054 0.75189278 0.24345069 1.0 O O56 1 0.76099345 0.48579826 0.46214603 1.0 O O57 1 0.26099345 0.51420174 0.03785397 1.0 O O58 1 0.73900655 0.98579826 0.53785397 1.0 O O59 1 0.23900655 0.01420174 0.96214603 1.0 O O60 1 0.23900655 0.51420174 0.53785397 1.0 O O61 1 0.73900655 0.48579826 0.96214603 1.0 O O62 1 0.26099345 0.01420174 0.46214603 1.0 O O63 1 0.76099345 0.98579826 0.03785397 1.0 O O64 1 -0.00028922 0.46325021 0.25730444 1.0 O O65 1 0.49971078 0.53674979 0.24269556 1.0 O O66 1 0.50028922 0.96325021 0.74269556 1.0 O O67 1 0.00028922 0.03674979 0.75730444 1.0 O O68 1 0.00657217 0.75220903 0.01034663 1.0 O O69 1 0.50028922 0.46325021 0.75730444 1.0 O O70 1 0.49971078 0.03674979 0.25730444 1.0 O O71 1 -0.00028922 0.96325021 0.24269556 1.0 O O72 1 0.00657217 0.25220903 0.48965337 1.0 O O73 1 0.50657217 0.74779097 0.01034663 1.0 O O74 1 0.49342783 0.75220903 0.51034663 1.0 O O75 1 0.99342783 0.24779097 0.98965337 1.0 O O76 1 0.99342783 0.74779097 0.51034663 1.0 O O77 1 0.49342783 0.25220903 0.98965337 1.0 O O78 1 0.50657217 0.24779097 0.48965337 1.0 O O79 1 0.00028922 0.53674979 0.74269556 1.0