# generated using pymatgen data_Sm6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.17866247 _cell_length_b 11.17866247 _cell_length_c 17.93124981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000326 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Nb4Al43 _chemical_formula_sum 'Sm12 Nb8 Al86' _cell_volume 1940.53225087 _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 Sm Sm0 1 0.47128232 0.47128232 0.90424754 1.0 Sm Sm1 1 0.52871768 0.52871768 0.09575246 1.0 Sm Sm2 1 1.00000000 0.52871768 0.90424754 1.0 Sm Sm3 1 0.52871768 0.52871768 0.40424754 1.0 Sm Sm4 1 1.00000000 0.52871768 0.59575246 1.0 Sm Sm5 1 0.00000000 0.47128232 0.09575246 1.0 Sm Sm6 1 0.47128232 0.47128232 0.59575246 1.0 Sm Sm7 1 0.00000000 0.47128232 0.40424754 1.0 Sm Sm8 1 0.52871768 1.00000000 0.90424754 1.0 Sm Sm9 1 0.47128232 0.00000000 0.09575246 1.0 Sm Sm10 1 0.47128232 0.00000000 0.40424754 1.0 Sm Sm11 1 0.52871768 1.00000000 0.59575246 1.0 Nb Nb12 1 -0.00000000 0.00000000 0.00000000 1.0 Nb Nb13 1 -0.00000000 0.00000000 0.50000000 1.0 Nb Nb14 1 0.27260052 0.27260052 0.75000000 1.0 Nb Nb15 1 0.72739948 0.72739948 0.25000000 1.0 Nb Nb16 1 1.00000000 0.72739948 0.75000000 1.0 Nb Nb17 1 0.00000000 0.27260052 0.25000000 1.0 Nb Nb18 1 0.72739948 1.00000000 0.75000000 1.0 Nb Nb19 1 0.27260052 0.00000000 0.25000000 1.0 Al Al20 1 0.85043484 0.44586184 0.75000000 1.0 Al Al21 1 0.14956516 0.55413816 0.25000000 1.0 Al Al22 1 0.59542700 0.14956516 0.75000000 1.0 Al Al23 1 0.40457300 0.55413816 0.75000000 1.0 Al Al24 1 0.40457300 0.85043484 0.25000000 1.0 Al Al25 1 0.59542700 0.44586184 0.25000000 1.0 Al Al26 1 0.55413816 0.40457300 0.75000000 1.0 Al Al27 1 0.44586184 0.85043484 0.75000000 1.0 Al Al28 1 0.44586184 0.59542700 0.25000000 1.0 Al Al29 1 0.55413816 0.14956516 0.25000000 1.0 Al Al30 1 0.14956516 0.59542700 0.75000000 1.0 Al Al31 1 0.85043484 0.40457300 0.25000000 1.0 Al Al32 1 0.84160792 0.84160792 0.38445309 1.0 Al Al33 1 0.15839208 0.15839208 0.61554691 1.0 Al Al34 1 1.00000000 0.15839208 0.38445309 1.0 Al Al35 1 0.15839208 0.15839208 0.88445309 1.0 Al Al36 1 1.00000000 0.15839208 0.11554691 1.0 Al Al37 1 0.00000000 0.84160792 0.61554691 1.0 Al Al38 1 0.84160792 0.84160792 0.11554691 1.0 Al Al39 1 0.00000000 0.84160792 0.88445309 1.0 Al Al40 1 0.15839208 1.00000000 0.38445309 1.0 Al Al41 1 0.84160792 0.00000000 0.61554691 1.0 Al Al42 1 0.84160792 0.00000000 0.88445309 1.0 Al Al43 1 0.15839208 1.00000000 0.11554691 1.0 Al Al44 1 0.75267773 0.24732227 0.00000000 1.0 Al Al45 1 0.24732227 0.75267773 0.00000000 1.0 Al Al46 1 0.49464454 0.24732227 0.00000000 1.0 Al Al47 1 0.24732227 0.75267773 0.50000000 1.0 Al Al48 1 0.50535546 0.75267773 0.50000000 1.0 Al Al49 1 0.50535546 0.75267773 0.00000000 1.0 Al Al50 1 0.75267773 0.24732227 0.50000000 1.0 Al Al51 1 0.49464454 0.24732227 0.50000000 1.0 Al Al52 1 0.75267773 0.50535546 0.00000000 1.0 Al Al53 1 0.24732227 0.49464454 0.00000000 1.0 Al Al54 1 0.24732227 0.49464454 0.50000000 1.0 Al Al55 1 0.75267773 0.50535546 0.50000000 1.0 Al Al56 1 0.85359179 0.85359179 0.75000000 1.0 Al Al57 1 0.14640821 0.14640821 0.25000000 1.0 Al Al58 1 1.00000000 0.14640821 0.75000000 1.0 Al Al59 1 0.00000000 0.85359179 0.25000000 1.0 Al Al60 1 0.14640821 1.00000000 0.75000000 1.0 Al Al61 1 0.85359179 0.00000000 0.25000000 1.0 Al Al62 1 0.66666700 0.33333300 0.87308856 1.0 Al Al63 1 0.33333300 0.66666700 0.12691144 1.0 Al Al64 1 0.33333300 0.66666700 0.37308856 1.0 Al Al65 1 0.33333300 0.66666700 0.62691144 1.0 Al Al66 1 0.66666700 0.33333300 0.62691144 1.0 Al Al67 1 0.66666700 0.33333300 0.37308856 1.0 Al Al68 1 0.66666700 0.33333300 0.12691144 1.0 Al Al69 1 0.33333300 0.66666700 0.87308856 1.0 Al Al70 1 0.74510093 0.74510093 0.96985602 1.0 Al Al71 1 0.25489907 0.25489907 0.03014398 1.0 Al Al72 1 1.00000000 0.25489907 0.96985602 1.0 Al Al73 1 0.25489907 0.25489907 0.46985602 1.0 Al Al74 1 1.00000000 0.25489907 0.53014398 1.0 Al Al75 1 0.00000000 0.74510093 0.03014398 1.0 Al Al76 1 0.74510093 0.74510093 0.53014398 1.0 Al Al77 1 0.00000000 0.74510093 0.46985602 1.0 Al Al78 1 0.25489907 1.00000000 0.96985602 1.0 Al Al79 1 0.74510093 0.00000000 0.03014398 1.0 Al Al80 1 0.74510093 0.00000000 0.46985602 1.0 Al Al81 1 0.25489907 1.00000000 0.53014398 1.0 Al Al82 1 0.84305404 0.23688154 0.83529566 1.0 Al Al83 1 0.15694596 0.76311846 0.16470434 1.0 Al Al84 1 0.39382750 0.15694596 0.83529566 1.0 Al Al85 1 0.15694596 0.76311846 0.33529566 1.0 Al Al86 1 0.60617250 0.76311846 0.66470434 1.0 Al Al87 1 0.60617250 0.84305404 0.16470434 1.0 Al Al88 1 0.84305404 0.23688154 0.66470434 1.0 Al Al89 1 0.39382750 0.23688154 0.33529566 1.0 Al Al90 1 0.76311846 0.60617250 0.83529566 1.0 Al Al91 1 0.60617250 0.84305404 0.33529566 1.0 Al Al92 1 0.23688154 0.84305404 0.66470434 1.0 Al Al93 1 0.23688154 0.39382750 0.16470434 1.0 Al Al94 1 0.39382750 0.15694596 0.66470434 1.0 Al Al95 1 0.76311846 0.15694596 0.33529566 1.0 Al Al96 1 0.39382750 0.23688154 0.16470434 1.0 Al Al97 1 0.60617250 0.76311846 0.83529566 1.0 Al Al98 1 0.23688154 0.39382750 0.33529566 1.0 Al Al99 1 0.76311846 0.15694596 0.16470434 1.0 Al Al100 1 0.76311846 0.60617250 0.66470434 1.0 Al Al101 1 0.23688154 0.84305404 0.83529566 1.0 Al Al102 1 0.15694596 0.39382750 0.66470434 1.0 Al Al103 1 0.84305404 0.60617250 0.33529566 1.0 Al Al104 1 0.84305404 0.60617250 0.16470434 1.0 Al Al105 1 0.15694596 0.39382750 0.83529566 1.0