# generated using pymatgen data_Y6Ti4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10800654 _cell_length_b 11.10800654 _cell_length_c 17.81060000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y6Ti4Al43 _chemical_formula_sum 'Y12 Ti8 Al86' _cell_volume 1903.18681840 _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 Y Y0 1 0.53063200 0.00000000 0.59654800 1.0 Y Y1 1 0.46936800 0.00000000 0.40345200 1.0 Y Y2 1 0.00000000 0.53063200 0.59654800 1.0 Y Y3 1 0.46936800 0.00000000 0.09654800 1.0 Y Y4 1 0.00000000 0.53063200 0.90345200 1.0 Y Y5 1 0.00000000 0.46936800 0.40345200 1.0 Y Y6 1 0.53063200 0.00000000 0.90345200 1.0 Y Y7 1 0.00000000 0.46936800 0.09654800 1.0 Y Y8 1 0.46936800 0.46936800 0.59654800 1.0 Y Y9 1 0.53063200 0.53063200 0.40345200 1.0 Y Y10 1 0.53063200 0.53063200 0.09654800 1.0 Y Y11 1 0.46936800 0.46936800 0.90345200 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 0.72804200 0.00000000 0.75000000 1.0 Ti Ti15 1 0.27195800 0.00000000 0.25000000 1.0 Ti Ti16 1 0.00000000 0.72804200 0.75000000 1.0 Ti Ti17 1 0.00000000 0.27195800 0.25000000 1.0 Ti Ti18 1 0.27195800 0.27195800 0.75000000 1.0 Ti Ti19 1 0.72804200 0.72804200 0.25000000 1.0 Al Al20 1 0.14995300 0.59744000 0.75000000 1.0 Al Al21 1 0.85004700 0.40256000 0.25000000 1.0 Al Al22 1 0.40256000 0.55251200 0.75000000 1.0 Al Al23 1 0.59744000 0.14995300 0.75000000 1.0 Al Al24 1 0.59744000 0.44748800 0.25000000 1.0 Al Al25 1 0.40256000 0.85004700 0.25000000 1.0 Al Al26 1 0.44748800 0.85004700 0.75000000 1.0 Al Al27 1 0.55251200 0.40256000 0.75000000 1.0 Al Al28 1 0.55251200 0.14995300 0.25000000 1.0 Al Al29 1 0.44748800 0.59744000 0.25000000 1.0 Al Al30 1 0.85004700 0.44748800 0.75000000 1.0 Al Al31 1 0.14995300 0.55251200 0.25000000 1.0 Al Al32 1 0.15717600 0.00000000 0.11590000 1.0 Al Al33 1 0.84282400 0.00000000 0.88410000 1.0 Al Al34 1 0.00000000 0.15717600 0.11590000 1.0 Al Al35 1 0.84282400 0.00000000 0.61590000 1.0 Al Al36 1 0.00000000 0.15717600 0.38410000 1.0 Al Al37 1 0.00000000 0.84282400 0.88410000 1.0 Al Al38 1 0.15717600 0.00000000 0.38410000 1.0 Al Al39 1 0.00000000 0.84282400 0.61590000 1.0 Al Al40 1 0.84282400 0.84282400 0.11590000 1.0 Al Al41 1 0.15717600 0.15717600 0.88410000 1.0 Al Al42 1 0.15717600 0.15717600 0.61590000 1.0 Al Al43 1 0.84282400 0.84282400 0.38410000 1.0 Al Al44 1 0.24737500 0.49475100 0.50000000 1.0 Al Al45 1 0.75262500 0.50524900 0.50000000 1.0 Al Al46 1 0.50524900 0.75262500 0.50000000 1.0 Al Al47 1 0.75262500 0.50524900 0.00000000 1.0 Al Al48 1 0.49475100 0.24737500 0.00000000 1.0 Al Al49 1 0.49475100 0.24737500 0.50000000 1.0 Al Al50 1 0.24737500 0.49475100 0.00000000 1.0 Al Al51 1 0.50524900 0.75262500 0.00000000 1.0 Al Al52 1 0.24737500 0.75262500 0.50000000 1.0 Al Al53 1 0.75262500 0.24737500 0.50000000 1.0 Al Al54 1 0.75262500 0.24737500 0.00000000 1.0 Al Al55 1 0.24737500 0.75262500 0.00000000 1.0 Al Al56 1 0.14643100 0.00000000 0.75000000 1.0 Al Al57 1 0.85356900 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14643100 0.75000000 1.0 Al Al59 1 0.00000000 0.85356900 0.25000000 1.0 Al Al60 1 0.85356900 0.85356900 0.75000000 1.0 Al Al61 1 0.14643100 0.14643100 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62621100 1.0 Al Al63 1 0.66666700 0.33333300 0.37378900 1.0 Al Al64 1 0.66666700 0.33333300 0.12621100 1.0 Al Al65 1 0.66666700 0.33333300 0.87378900 1.0 Al Al66 1 0.33333300 0.66666700 0.87378900 1.0 Al Al67 1 0.33333300 0.66666700 0.12621100 1.0 Al Al68 1 0.33333300 0.66666700 0.37378900 1.0 Al Al69 1 0.66666700 0.33333300 0.62621100 1.0 Al Al70 1 0.25383800 0.00000000 0.52923500 1.0 Al Al71 1 0.74616200 0.00000000 0.47076500 1.0 Al Al72 1 0.00000000 0.25383800 0.52923500 1.0 Al Al73 1 0.74616200 0.00000000 0.02923500 1.0 Al Al74 1 0.00000000 0.25383800 0.97076500 1.0 Al Al75 1 0.00000000 0.74616200 0.47076500 1.0 Al Al76 1 0.25383800 0.00000000 0.97076500 1.0 Al Al77 1 0.00000000 0.74616200 0.02923500 1.0 Al Al78 1 0.74616200 0.74616200 0.52923500 1.0 Al Al79 1 0.25383800 0.25383800 0.47076500 1.0 Al Al80 1 0.25383800 0.25383800 0.02923500 1.0 Al Al81 1 0.74616200 0.74616200 0.97076500 1.0 Al Al82 1 0.15815400 0.39315600 0.66484400 1.0 Al Al83 1 0.84184600 0.60684400 0.33515600 1.0 Al Al84 1 0.60684400 0.76499800 0.66484400 1.0 Al Al85 1 0.84184600 0.60684400 0.16484400 1.0 Al Al86 1 0.39315600 0.15815400 0.83515600 1.0 Al Al87 1 0.39315600 0.23500200 0.33515600 1.0 Al Al88 1 0.15815400 0.39315600 0.83515600 1.0 Al Al89 1 0.60684400 0.84184600 0.16484400 1.0 Al Al90 1 0.23500200 0.84184600 0.66484400 1.0 Al Al91 1 0.39315600 0.23500200 0.16484400 1.0 Al Al92 1 0.76499800 0.60684400 0.83515600 1.0 Al Al93 1 0.76499800 0.15815400 0.33515600 1.0 Al Al94 1 0.60684400 0.76499800 0.83515600 1.0 Al Al95 1 0.23500200 0.39315600 0.16484400 1.0 Al Al96 1 0.60684400 0.84184600 0.33515600 1.0 Al Al97 1 0.39315600 0.15815400 0.66484400 1.0 Al Al98 1 0.76499800 0.15815400 0.16484400 1.0 Al Al99 1 0.23500200 0.39315600 0.33515600 1.0 Al Al100 1 0.23500200 0.84184600 0.83515600 1.0 Al Al101 1 0.76499800 0.60684400 0.66484400 1.0 Al Al102 1 0.84184600 0.23500200 0.83515600 1.0 Al Al103 1 0.15815400 0.76499800 0.16484400 1.0 Al Al104 1 0.15815400 0.76499800 0.33515600 1.0 Al Al105 1 0.84184600 0.23500200 0.66484400 1.0