# generated using pymatgen data_Lu6Ti4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04522883 _cell_length_b 11.04522883 _cell_length_c 17.65665500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000499 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Ti4Al43 _chemical_formula_sum 'Lu12 Ti8 Al86' _cell_volume 1865.47089232 _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 Lu Lu0 1 0.53131000 0.00000000 0.59640900 1.0 Lu Lu1 1 0.46869000 0.00000000 0.40359100 1.0 Lu Lu2 1 0.00000000 0.53131000 0.59640900 1.0 Lu Lu3 1 0.46869000 0.00000000 0.09640900 1.0 Lu Lu4 1 0.00000000 0.53131000 0.90359100 1.0 Lu Lu5 1 0.00000000 0.46869000 0.40359100 1.0 Lu Lu6 1 0.53131000 0.00000000 0.90359100 1.0 Lu Lu7 1 0.00000000 0.46869000 0.09640900 1.0 Lu Lu8 1 0.46869000 0.46869000 0.59640900 1.0 Lu Lu9 1 0.53131000 0.53131000 0.40359100 1.0 Lu Lu10 1 0.53131000 0.53131000 0.09640900 1.0 Lu Lu11 1 0.46869000 0.46869000 0.90359100 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 0.72750400 0.00000000 0.75000000 1.0 Ti Ti15 1 0.27249600 0.00000000 0.25000000 1.0 Ti Ti16 1 0.00000000 0.72750400 0.75000000 1.0 Ti Ti17 1 0.00000000 0.27249600 0.25000000 1.0 Ti Ti18 1 0.27249600 0.27249600 0.75000000 1.0 Ti Ti19 1 0.72750400 0.72750400 0.25000000 1.0 Al Al20 1 0.14920800 0.59705300 0.75000000 1.0 Al Al21 1 0.85079200 0.40294700 0.25000000 1.0 Al Al22 1 0.40294700 0.55215600 0.75000000 1.0 Al Al23 1 0.59705300 0.14920800 0.75000000 1.0 Al Al24 1 0.59705300 0.44784400 0.25000000 1.0 Al Al25 1 0.40294700 0.85079200 0.25000000 1.0 Al Al26 1 0.44784400 0.85079200 0.75000000 1.0 Al Al27 1 0.55215600 0.40294700 0.75000000 1.0 Al Al28 1 0.55215600 0.14920800 0.25000000 1.0 Al Al29 1 0.44784400 0.59705300 0.25000000 1.0 Al Al30 1 0.85079200 0.44784400 0.75000000 1.0 Al Al31 1 0.14920800 0.55215600 0.25000000 1.0 Al Al32 1 0.15718600 0.00000000 0.11577800 1.0 Al Al33 1 0.84281400 0.00000000 0.88422200 1.0 Al Al34 1 0.00000000 0.15718600 0.11577800 1.0 Al Al35 1 0.84281400 0.00000000 0.61577800 1.0 Al Al36 1 0.00000000 0.15718600 0.38422200 1.0 Al Al37 1 0.00000000 0.84281400 0.88422200 1.0 Al Al38 1 0.15718600 0.00000000 0.38422200 1.0 Al Al39 1 0.00000000 0.84281400 0.61577800 1.0 Al Al40 1 0.84281400 0.84281400 0.11577800 1.0 Al Al41 1 0.15718600 0.15718600 0.88422200 1.0 Al Al42 1 0.15718600 0.15718600 0.61577800 1.0 Al Al43 1 0.84281400 0.84281400 0.38422200 1.0 Al Al44 1 0.24744600 0.49489200 0.50000000 1.0 Al Al45 1 0.75255400 0.50510800 0.50000000 1.0 Al Al46 1 0.50510800 0.75255400 0.50000000 1.0 Al Al47 1 0.75255400 0.50510800 0.00000000 1.0 Al Al48 1 0.49489200 0.24744600 0.00000000 1.0 Al Al49 1 0.49489200 0.24744600 0.50000000 1.0 Al Al50 1 0.24744600 0.49489200 0.00000000 1.0 Al Al51 1 0.50510800 0.75255400 0.00000000 1.0 Al Al52 1 0.24744600 0.75255400 0.50000000 1.0 Al Al53 1 0.75255400 0.24744600 0.50000000 1.0 Al Al54 1 0.75255400 0.24744600 0.00000000 1.0 Al Al55 1 0.24744600 0.75255400 0.00000000 1.0 Al Al56 1 0.14678900 0.00000000 0.75000000 1.0 Al Al57 1 0.85321100 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14678900 0.75000000 1.0 Al Al59 1 0.00000000 0.85321100 0.25000000 1.0 Al Al60 1 0.85321100 0.85321100 0.75000000 1.0 Al Al61 1 0.14678900 0.14678900 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62588800 1.0 Al Al63 1 0.66666700 0.33333300 0.37411200 1.0 Al Al64 1 0.66666700 0.33333300 0.12588800 1.0 Al Al65 1 0.66666700 0.33333300 0.87411200 1.0 Al Al66 1 0.33333300 0.66666700 0.87411200 1.0 Al Al67 1 0.33333300 0.66666700 0.12588800 1.0 Al Al68 1 0.33333300 0.66666700 0.37411200 1.0 Al Al69 1 0.66666700 0.33333300 0.62588800 1.0 Al Al70 1 0.25497000 0.00000000 0.52918100 1.0 Al Al71 1 0.74503000 0.00000000 0.47081900 1.0 Al Al72 1 0.00000000 0.25497000 0.52918100 1.0 Al Al73 1 0.74503000 0.00000000 0.02918100 1.0 Al Al74 1 0.00000000 0.25497000 0.97081900 1.0 Al Al75 1 0.00000000 0.74503000 0.47081900 1.0 Al Al76 1 0.25497000 0.00000000 0.97081900 1.0 Al Al77 1 0.00000000 0.74503000 0.02918100 1.0 Al Al78 1 0.74503000 0.74503000 0.52918100 1.0 Al Al79 1 0.25497000 0.25497000 0.47081900 1.0 Al Al80 1 0.25497000 0.25497000 0.02918100 1.0 Al Al81 1 0.74503000 0.74503000 0.97081900 1.0 Al Al82 1 0.15827500 0.39399000 0.66392700 1.0 Al Al83 1 0.84172500 0.60601000 0.33607300 1.0 Al Al84 1 0.60601000 0.76428500 0.66392700 1.0 Al Al85 1 0.84172500 0.60601000 0.16392700 1.0 Al Al86 1 0.39399000 0.15827500 0.83607300 1.0 Al Al87 1 0.39399000 0.23571500 0.33607300 1.0 Al Al88 1 0.15827500 0.39399000 0.83607300 1.0 Al Al89 1 0.60601000 0.84172500 0.16392700 1.0 Al Al90 1 0.23571500 0.84172500 0.66392700 1.0 Al Al91 1 0.39399000 0.23571500 0.16392700 1.0 Al Al92 1 0.76428500 0.60601000 0.83607300 1.0 Al Al93 1 0.76428500 0.15827500 0.33607300 1.0 Al Al94 1 0.60601000 0.76428500 0.83607300 1.0 Al Al95 1 0.23571500 0.39399000 0.16392700 1.0 Al Al96 1 0.60601000 0.84172500 0.33607300 1.0 Al Al97 1 0.39399000 0.15827500 0.66392700 1.0 Al Al98 1 0.76428500 0.15827500 0.16392700 1.0 Al Al99 1 0.23571500 0.39399000 0.33607300 1.0 Al Al100 1 0.23571500 0.84172500 0.83607300 1.0 Al Al101 1 0.76428500 0.60601000 0.66392700 1.0 Al Al102 1 0.84172500 0.23571500 0.83607300 1.0 Al Al103 1 0.15827500 0.76428500 0.16392700 1.0 Al Al104 1 0.15827500 0.76428500 0.33607300 1.0 Al Al105 1 0.84172500 0.23571500 0.66392700 1.0