# generated using pymatgen data_Lu6Al43Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.02416257 _cell_length_b 11.02416257 _cell_length_c 17.48551300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Al43Mo4 _chemical_formula_sum 'Lu12 Al86 Mo8' _cell_volume 1840.34909912 _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 0.46847800 0.46847800 0.90471800 1.0 Lu Lu1 1 0.53152200 0.00000000 0.90471800 1.0 Lu Lu2 1 0.00000000 0.53152200 0.90471800 1.0 Lu Lu3 1 0.53152200 0.53152200 0.09528200 1.0 Lu Lu4 1 0.46847800 0.00000000 0.09528200 1.0 Lu Lu5 1 0.00000000 0.46847800 0.09528200 1.0 Lu Lu6 1 0.53152200 0.53152200 0.40471800 1.0 Lu Lu7 1 0.46847800 0.00000000 0.40471800 1.0 Lu Lu8 1 0.00000000 0.46847800 0.40471800 1.0 Lu Lu9 1 0.46847800 0.46847800 0.59528200 1.0 Lu Lu10 1 0.53152200 0.00000000 0.59528200 1.0 Lu Lu11 1 0.00000000 0.53152200 0.59528200 1.0 Al Al12 1 0.84201200 0.23668600 0.83682000 1.0 Al Al13 1 0.76331400 0.60532700 0.83682000 1.0 Al Al14 1 0.39467300 0.15798800 0.83682000 1.0 Al Al15 1 0.23668600 0.84201200 0.83682000 1.0 Al Al16 1 0.60532700 0.76331400 0.83682000 1.0 Al Al17 1 0.15798800 0.39467300 0.83682000 1.0 Al Al18 1 0.15798800 0.76331400 0.16318000 1.0 Al Al19 1 0.23668600 0.39467300 0.16318000 1.0 Al Al20 1 0.60532700 0.84201200 0.16318000 1.0 Al Al21 1 0.76331400 0.15798800 0.16318000 1.0 Al Al22 1 0.39467300 0.23668600 0.16318000 1.0 Al Al23 1 0.84201200 0.60532700 0.16318000 1.0 Al Al24 1 0.15798800 0.76331400 0.33682000 1.0 Al Al25 1 0.23668600 0.39467300 0.33682000 1.0 Al Al26 1 0.60532700 0.84201200 0.33682000 1.0 Al Al27 1 0.76331400 0.15798800 0.33682000 1.0 Al Al28 1 0.39467300 0.23668600 0.33682000 1.0 Al Al29 1 0.84201200 0.60532700 0.33682000 1.0 Al Al30 1 0.84201200 0.23668600 0.66318000 1.0 Al Al31 1 0.76331400 0.60532700 0.66318000 1.0 Al Al32 1 0.39467300 0.15798800 0.66318000 1.0 Al Al33 1 0.23668600 0.84201200 0.66318000 1.0 Al Al34 1 0.60532700 0.76331400 0.66318000 1.0 Al Al35 1 0.15798800 0.39467300 0.66318000 1.0 Al Al36 1 0.84081400 0.84081400 0.38521000 1.0 Al Al37 1 0.15918600 0.00000000 0.38521000 1.0 Al Al38 1 0.00000000 0.15918600 0.38521000 1.0 Al Al39 1 0.15918600 0.15918600 0.61479000 1.0 Al Al40 1 0.84081400 0.00000000 0.61479000 1.0 Al Al41 1 0.00000000 0.84081400 0.61479000 1.0 Al Al42 1 0.15918600 0.15918600 0.88521000 1.0 Al Al43 1 0.84081400 0.00000000 0.88521000 1.0 Al Al44 1 0.00000000 0.84081400 0.88521000 1.0 Al Al45 1 0.84081400 0.84081400 0.11479000 1.0 Al Al46 1 0.15918600 0.00000000 0.11479000 1.0 Al Al47 1 0.00000000 0.15918600 0.11479000 1.0 Al Al48 1 0.74517700 0.74517700 0.96942300 1.0 Al Al49 1 0.25482300 0.00000000 0.96942300 1.0 Al Al50 1 0.00000000 0.25482300 0.96942300 1.0 Al Al51 1 0.25482300 0.25482300 0.03057700 1.0 Al Al52 1 0.74517700 0.00000000 0.03057700 1.0 Al Al53 1 0.00000000 0.74517700 0.03057700 1.0 Al Al54 1 0.25482300 0.25482300 0.46942300 1.0 Al Al55 1 0.74517700 0.00000000 0.46942300 1.0 Al Al56 1 0.00000000 0.74517700 0.46942300 1.0 Al Al57 1 0.74517700 0.74517700 0.53057700 1.0 Al Al58 1 0.25482300 0.00000000 0.53057700 1.0 Al Al59 1 0.00000000 0.25482300 0.53057700 1.0 Al Al60 1 0.85256200 0.44848600 0.75000000 1.0 Al Al61 1 0.55151400 0.40407600 0.75000000 1.0 Al Al62 1 0.59592400 0.14743800 0.75000000 1.0 Al Al63 1 0.44848600 0.85256200 0.75000000 1.0 Al Al64 1 0.40407600 0.55151400 0.75000000 1.0 Al Al65 1 0.14743800 0.59592400 0.75000000 1.0 Al Al66 1 0.14743800 0.55151400 0.25000000 1.0 Al Al67 1 0.44848600 0.59592400 0.25000000 1.0 Al Al68 1 0.40407600 0.85256200 0.25000000 1.0 Al Al69 1 0.55151400 0.14743800 0.25000000 1.0 Al Al70 1 0.59592400 0.44848600 0.25000000 1.0 Al Al71 1 0.85256200 0.40407600 0.25000000 1.0 Al Al72 1 0.75318600 0.24681400 0.00000000 1.0 Al Al73 1 0.75318600 0.50637300 0.00000000 1.0 Al Al74 1 0.49362700 0.24681400 0.00000000 1.0 Al Al75 1 0.24681400 0.75318600 0.00000000 1.0 Al Al76 1 0.50637300 0.75318600 0.00000000 1.0 Al Al77 1 0.24681400 0.49362700 0.00000000 1.0 Al Al78 1 0.24681400 0.75318600 0.50000000 1.0 Al Al79 1 0.24681400 0.49362700 0.50000000 1.0 Al Al80 1 0.50637300 0.75318600 0.50000000 1.0 Al Al81 1 0.75318600 0.24681400 0.50000000 1.0 Al Al82 1 0.49362700 0.24681400 0.50000000 1.0 Al Al83 1 0.75318600 0.50637300 0.50000000 1.0 Al Al84 1 0.66666700 0.33333300 0.87404300 1.0 Al Al85 1 0.33333300 0.66666700 0.87404300 1.0 Al Al86 1 0.33333300 0.66666700 0.12595700 1.0 Al Al87 1 0.66666700 0.33333300 0.12595700 1.0 Al Al88 1 0.33333300 0.66666700 0.37404300 1.0 Al Al89 1 0.66666700 0.33333300 0.37404300 1.0 Al Al90 1 0.66666700 0.33333300 0.62595700 1.0 Al Al91 1 0.33333300 0.66666700 0.62595700 1.0 Al Al92 1 0.85306700 0.85306700 0.75000000 1.0 Al Al93 1 0.14693300 0.00000000 0.75000000 1.0 Al Al94 1 0.00000000 0.14693300 0.75000000 1.0 Al Al95 1 0.14693300 0.14693300 0.25000000 1.0 Al Al96 1 0.85306700 0.00000000 0.25000000 1.0 Al Al97 1 0.00000000 0.85306700 0.25000000 1.0 Mo Mo98 1 0.27224300 0.27224300 0.75000000 1.0 Mo Mo99 1 0.72775700 0.00000000 0.75000000 1.0 Mo Mo100 1 0.00000000 0.72775700 0.75000000 1.0 Mo Mo101 1 0.72775700 0.72775700 0.25000000 1.0 Mo Mo102 1 0.27224300 0.00000000 0.25000000 1.0 Mo Mo103 1 0.00000000 0.27224300 0.25000000 1.0 Mo Mo104 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo105 1 0.00000000 0.00000000 0.50000000 1.0