# generated using pymatgen data_Er6Ti4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.08012635 _cell_length_b 11.08012635 _cell_length_c 17.72985000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Ti4Al43 _chemical_formula_sum 'Er12 Ti8 Al86' _cell_volume 1885.05970323 _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 Er Er0 1 0.53114100 0.00000000 0.59628200 1.0 Er Er1 1 0.46885900 0.00000000 0.40371800 1.0 Er Er2 1 0.00000000 0.53114100 0.59628200 1.0 Er Er3 1 0.46885900 0.00000000 0.09628200 1.0 Er Er4 1 0.00000000 0.53114100 0.90371800 1.0 Er Er5 1 0.00000000 0.46885900 0.40371800 1.0 Er Er6 1 0.53114100 0.00000000 0.90371800 1.0 Er Er7 1 0.00000000 0.46885900 0.09628200 1.0 Er Er8 1 0.46885900 0.46885900 0.59628200 1.0 Er Er9 1 0.53114100 0.53114100 0.40371800 1.0 Er Er10 1 0.53114100 0.53114100 0.09628200 1.0 Er Er11 1 0.46885900 0.46885900 0.90371800 1.0 Ti Ti12 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti13 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti14 1 0.72816400 0.00000000 0.75000000 1.0 Ti Ti15 1 0.27183600 0.00000000 0.25000000 1.0 Ti Ti16 1 0.00000000 0.72816400 0.75000000 1.0 Ti Ti17 1 0.00000000 0.27183600 0.25000000 1.0 Ti Ti18 1 0.27183600 0.27183600 0.75000000 1.0 Ti Ti19 1 0.72816400 0.72816400 0.25000000 1.0 Al Al20 1 0.14866700 0.59688900 0.75000000 1.0 Al Al21 1 0.85133300 0.40311100 0.25000000 1.0 Al Al22 1 0.40311100 0.55177800 0.75000000 1.0 Al Al23 1 0.59688900 0.14866700 0.75000000 1.0 Al Al24 1 0.59688900 0.44822200 0.25000000 1.0 Al Al25 1 0.40311100 0.85133300 0.25000000 1.0 Al Al26 1 0.44822200 0.85133300 0.75000000 1.0 Al Al27 1 0.55177800 0.40311100 0.75000000 1.0 Al Al28 1 0.55177800 0.14866700 0.25000000 1.0 Al Al29 1 0.44822200 0.59688900 0.25000000 1.0 Al Al30 1 0.85133300 0.44822200 0.75000000 1.0 Al Al31 1 0.14866700 0.55177800 0.25000000 1.0 Al Al32 1 0.15828900 0.00000000 0.11537700 1.0 Al Al33 1 0.84171100 0.00000000 0.88462300 1.0 Al Al34 1 0.00000000 0.15828900 0.11537700 1.0 Al Al35 1 0.84171100 0.00000000 0.61537700 1.0 Al Al36 1 0.00000000 0.15828900 0.38462300 1.0 Al Al37 1 0.00000000 0.84171100 0.88462300 1.0 Al Al38 1 0.15828900 0.00000000 0.38462300 1.0 Al Al39 1 0.00000000 0.84171100 0.61537700 1.0 Al Al40 1 0.84171100 0.84171100 0.11537700 1.0 Al Al41 1 0.15828900 0.15828900 0.88462300 1.0 Al Al42 1 0.15828900 0.15828900 0.61537700 1.0 Al Al43 1 0.84171100 0.84171100 0.38462300 1.0 Al Al44 1 0.24738700 0.49477400 0.50000000 1.0 Al Al45 1 0.75261300 0.50522600 0.50000000 1.0 Al Al46 1 0.50522600 0.75261300 0.50000000 1.0 Al Al47 1 0.75261300 0.50522600 0.00000000 1.0 Al Al48 1 0.49477400 0.24738700 0.00000000 1.0 Al Al49 1 0.49477400 0.24738700 0.50000000 1.0 Al Al50 1 0.24738700 0.49477400 0.00000000 1.0 Al Al51 1 0.50522600 0.75261300 0.00000000 1.0 Al Al52 1 0.24738700 0.75261300 0.50000000 1.0 Al Al53 1 0.75261300 0.24738700 0.50000000 1.0 Al Al54 1 0.75261300 0.24738700 0.00000000 1.0 Al Al55 1 0.24738700 0.75261300 0.00000000 1.0 Al Al56 1 0.14684500 0.00000000 0.75000000 1.0 Al Al57 1 0.85315500 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14684500 0.75000000 1.0 Al Al59 1 0.00000000 0.85315500 0.25000000 1.0 Al Al60 1 0.85315500 0.85315500 0.75000000 1.0 Al Al61 1 0.14684500 0.14684500 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62611300 1.0 Al Al63 1 0.66666700 0.33333300 0.37388700 1.0 Al Al64 1 0.66666700 0.33333300 0.12611300 1.0 Al Al65 1 0.66666700 0.33333300 0.87388700 1.0 Al Al66 1 0.33333300 0.66666700 0.87388700 1.0 Al Al67 1 0.33333300 0.66666700 0.12611300 1.0 Al Al68 1 0.33333300 0.66666700 0.37388700 1.0 Al Al69 1 0.66666700 0.33333300 0.62611300 1.0 Al Al70 1 0.25462100 0.00000000 0.52951900 1.0 Al Al71 1 0.74537900 0.00000000 0.47048100 1.0 Al Al72 1 0.00000000 0.25462100 0.52951900 1.0 Al Al73 1 0.74537900 0.00000000 0.02951900 1.0 Al Al74 1 0.00000000 0.25462100 0.97048100 1.0 Al Al75 1 0.00000000 0.74537900 0.47048100 1.0 Al Al76 1 0.25462100 0.00000000 0.97048100 1.0 Al Al77 1 0.00000000 0.74537900 0.02951900 1.0 Al Al78 1 0.74537900 0.74537900 0.52951900 1.0 Al Al79 1 0.25462100 0.25462100 0.47048100 1.0 Al Al80 1 0.25462100 0.25462100 0.02951900 1.0 Al Al81 1 0.74537900 0.74537900 0.97048100 1.0 Al Al82 1 0.15849300 0.39390200 0.66423800 1.0 Al Al83 1 0.84150700 0.60609800 0.33576200 1.0 Al Al84 1 0.60609800 0.76459100 0.66423800 1.0 Al Al85 1 0.84150700 0.60609800 0.16423800 1.0 Al Al86 1 0.39390200 0.15849300 0.83576200 1.0 Al Al87 1 0.39390200 0.23540900 0.33576200 1.0 Al Al88 1 0.15849300 0.39390200 0.83576200 1.0 Al Al89 1 0.60609800 0.84150700 0.16423800 1.0 Al Al90 1 0.23540900 0.84150700 0.66423800 1.0 Al Al91 1 0.39390200 0.23540900 0.16423800 1.0 Al Al92 1 0.76459100 0.60609800 0.83576200 1.0 Al Al93 1 0.76459100 0.15849300 0.33576200 1.0 Al Al94 1 0.60609800 0.76459100 0.83576200 1.0 Al Al95 1 0.23540900 0.39390200 0.16423800 1.0 Al Al96 1 0.60609800 0.84150700 0.33576200 1.0 Al Al97 1 0.39390200 0.15849300 0.66423800 1.0 Al Al98 1 0.76459100 0.15849300 0.16423800 1.0 Al Al99 1 0.23540900 0.39390200 0.33576200 1.0 Al Al100 1 0.23540900 0.84150700 0.83576200 1.0 Al Al101 1 0.76459100 0.60609800 0.66423800 1.0 Al Al102 1 0.84150700 0.23540900 0.83576200 1.0 Al Al103 1 0.15849300 0.76459100 0.16423800 1.0 Al Al104 1 0.15849300 0.76459100 0.33576200 1.0 Al Al105 1 0.84150700 0.23540900 0.66423800 1.0