# generated using pymatgen data_Ba7(Al3Te8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35445242 _cell_length_b 7.27149401 _cell_length_c 59.07725611 _cell_angle_alpha 69.14464942 _cell_angle_beta 51.32434805 _cell_angle_gamma 53.18657467 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba7(Al3Te8)2 _chemical_formula_sum 'Ba14 Al12 Te32' _cell_volume 2242.15408995 _cell_formula_units_Z 2 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 Ba Ba0 1 0.75554885 0.93176666 0.99224521 1.0 Ba Ba1 1 0.31841267 0.95753931 0.24362720 1.0 Ba Ba2 1 0.77910503 0.02930395 0.13318728 1.0 Ba Ba3 1 0.24838434 0.06850375 0.36017341 1.0 Ba Ba4 1 0.77582946 0.98321061 0.24985787 1.0 Ba Ba5 1 0.25013372 0.08795563 0.48607846 1.0 Ba Ba6 1 0.80198529 0.92338492 0.36502545 1.0 Ba Ba7 1 0.23700902 0.09333884 0.61206673 1.0 Ba Ba8 1 0.81700771 0.91627055 0.49041038 1.0 Ba Ba9 1 0.20354818 0.10538817 0.73789428 1.0 Ba Ba10 1 0.80115534 0.93258843 0.61576486 1.0 Ba Ba11 1 0.23160295 0.96347453 0.88682133 1.0 Ba Ba12 1 0.77795525 0.93090563 0.74033258 1.0 Ba Ba13 1 0.67191950 0.09205861 0.88542013 1.0 Al Al14 1 0.67141576 0.60320471 0.08297098 1.0 Al Al15 1 0.78561383 0.41144364 0.18524297 1.0 Al Al16 1 0.33868845 0.50023557 0.42141411 1.0 Al Al17 1 0.75775553 0.47207379 0.30897903 1.0 Al Al18 1 0.33423115 0.50487825 0.54852307 1.0 Al Al19 1 0.75534534 0.47373435 0.43685822 1.0 Al Al20 1 0.31082660 0.51578400 0.67390987 1.0 Al Al21 1 0.74443635 0.48602245 0.56236524 1.0 Al Al22 1 0.24429121 0.51517582 0.84262873 1.0 Al Al23 1 0.73713226 0.49965742 0.68699158 1.0 Al Al24 1 0.77424389 0.50967568 0.81401149 1.0 Al Al25 1 0.63283309 0.53543275 0.94634657 1.0 Te Te26 1 0.14553831 0.42850883 0.05437845 1.0 Te Te27 1 0.18417344 0.44140434 0.15109354 1.0 Te Te28 1 0.35350624 0.90653861 0.06733540 1.0 Te Te29 1 0.51663208 0.36694944 0.08620149 1.0 Te Te30 1 0.16072466 0.46148151 0.26542523 1.0 Te Te31 1 0.42642295 0.77990647 0.18268659 1.0 Te Te32 1 0.81906090 0.03674158 0.18640725 1.0 Te Te33 1 0.75011111 0.59868779 0.11998723 1.0 Te Te34 1 0.14873430 0.47373718 0.39181081 1.0 Te Te35 1 0.38240669 0.82021966 0.30678173 1.0 Te Te36 1 0.75728773 0.11609700 0.30611228 1.0 Te Te37 1 0.88069818 0.44177781 0.21914751 1.0 Te Te38 1 0.14457809 0.48335271 0.51891843 1.0 Te Te39 1 0.39298545 0.83680152 0.43291596 1.0 Te Te40 1 0.77822486 0.10851794 0.43133875 1.0 Te Te41 1 0.71806884 0.49101015 0.35859205 1.0 Te Te42 1 0.13680057 0.49639538 0.64263873 1.0 Te Te43 1 0.38428504 0.85131391 0.55795538 1.0 Te Te44 1 0.76809182 0.12052326 0.55660434 1.0 Te Te45 1 0.71426413 0.49533535 0.48584397 1.0 Te Te46 1 0.13637777 0.50728488 0.76529720 1.0 Te Te47 1 0.36627653 0.86049934 0.68332418 1.0 Te Te48 1 0.74211725 0.13988619 0.68222832 1.0 Te Te49 1 0.69972400 0.50630618 0.61161405 1.0 Te Te50 1 0.07149200 0.52467839 0.89881338 1.0 Te Te51 1 0.33720861 0.85532984 0.82145181 1.0 Te Te52 1 0.69933259 0.16898503 0.81967403 1.0 Te Te53 1 0.68599051 0.51591537 0.73590515 1.0 Te Te54 1 0.29452608 0.91311085 0.94154999 1.0 Te Te55 1 0.63536767 0.19051650 0.94103615 1.0 Te Te56 1 0.85880814 0.51739320 0.85354069 1.0 Te Te57 1 0.65377568 0.50178576 0.98924391 1.0