# generated using pymatgen data_Sm6Al43W4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.09532437 _cell_length_b 11.09525642 _cell_length_c 17.75290109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00019802 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Al43W4 _chemical_formula_sum 'Sm12 Al86 W8' _cell_volume 1892.67674349 _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 0.53070498 0.00000000 0.59554499 1.0 Sm Sm1 1 0.46928952 0.46929271 0.59554550 1.0 Sm Sm2 1 0.99999682 0.53070729 0.59554550 1.0 Sm Sm3 1 0.46929502 1.00000000 0.40445501 1.0 Sm Sm4 1 0.53071048 0.53070729 0.40445450 1.0 Sm Sm5 1 0.00000318 0.46929271 0.40445450 1.0 Sm Sm6 1 0.46929502 1.00000000 0.09554499 1.0 Sm Sm7 1 0.53071048 0.53070729 0.09554550 1.0 Sm Sm8 1 0.00000318 0.46929271 0.09554550 1.0 Sm Sm9 1 0.53070498 0.00000000 0.90445501 1.0 Sm Sm10 1 0.46928952 0.46929271 0.90445450 1.0 Sm Sm11 1 0.99999682 0.53070729 0.90445450 1.0 Al Al12 1 0.15826958 0.39395096 0.66442566 1.0 Al Al13 1 0.23567437 0.84173300 0.66442756 1.0 Al Al14 1 0.60604523 0.76432454 0.66442648 1.0 Al Al15 1 0.76431862 0.60604904 0.66442566 1.0 Al Al16 1 0.39394136 0.15826700 0.66442756 1.0 Al Al17 1 0.84172068 0.23567546 0.66442648 1.0 Al Al18 1 0.84173042 0.60604904 0.33557434 1.0 Al Al19 1 0.76432563 0.15826700 0.33557244 1.0 Al Al20 1 0.39395477 0.23567546 0.33557352 1.0 Al Al21 1 0.23568138 0.39395096 0.33557434 1.0 Al Al22 1 0.60605864 0.84173300 0.33557244 1.0 Al Al23 1 0.15827932 0.76432454 0.33557352 1.0 Al Al24 1 0.84173042 0.60604904 0.16442566 1.0 Al Al25 1 0.76432563 0.15826700 0.16442756 1.0 Al Al26 1 0.39395477 0.23567546 0.16442648 1.0 Al Al27 1 0.23568138 0.39395096 0.16442566 1.0 Al Al28 1 0.60605864 0.84173300 0.16442756 1.0 Al Al29 1 0.15827932 0.76432454 0.16442648 1.0 Al Al30 1 0.15826958 0.39395096 0.83557434 1.0 Al Al31 1 0.23567437 0.84173300 0.83557244 1.0 Al Al32 1 0.60604523 0.76432454 0.83557352 1.0 Al Al33 1 0.76431862 0.60604904 0.83557434 1.0 Al Al34 1 0.39394136 0.15826700 0.83557244 1.0 Al Al35 1 0.84172068 0.23567546 0.83557352 1.0 Al Al36 1 0.15845427 0.00000000 0.11524615 1.0 Al Al37 1 0.84154494 0.84154311 0.11524439 1.0 Al Al38 1 0.00000183 0.15845689 0.11524439 1.0 Al Al39 1 0.84154573 1.00000000 0.88475385 1.0 Al Al40 1 0.15845506 0.15845689 0.88475561 1.0 Al Al41 1 0.99999817 0.84154311 0.88475561 1.0 Al Al42 1 0.84154573 1.00000000 0.61524615 1.0 Al Al43 1 0.15845506 0.15845689 0.61524439 1.0 Al Al44 1 0.99999817 0.84154311 0.61524439 1.0 Al Al45 1 0.15845427 0.00000000 0.38475385 1.0 Al Al46 1 0.84154494 0.84154311 0.38475561 1.0 Al Al47 1 0.00000183 0.15845689 0.38475561 1.0 Al Al48 1 0.25250643 0.00000000 0.53092748 1.0 Al Al49 1 0.74749366 0.74749248 0.53092819 1.0 Al Al50 1 0.00000118 0.25250752 0.53092819 1.0 Al Al51 1 0.74749357 1.00000000 0.46907252 1.0 Al Al52 1 0.25250634 0.25250752 0.46907181 1.0 Al Al53 1 0.99999882 0.74749248 0.46907181 1.0 Al Al54 1 0.74749357 1.00000000 0.03092748 1.0 Al Al55 1 0.25250634 0.25250752 0.03092819 1.0 Al Al56 1 0.99999882 0.74749248 0.03092819 1.0 Al Al57 1 0.25250643 0.00000000 0.96907252 1.0 Al Al58 1 0.74749366 0.74749248 0.96907181 1.0 Al Al59 1 0.00000118 0.25250752 0.96907181 1.0 Al Al60 1 0.14742597 0.59558710 0.75000000 1.0 Al Al61 1 0.44815491 0.85257126 0.75000000 1.0 Al Al62 1 0.40440994 0.55184517 0.75000000 1.0 Al Al63 1 0.55183887 0.40441290 0.75000000 1.0 Al Al64 1 0.59558365 0.14742874 0.75000000 1.0 Al Al65 1 0.85256477 0.44815483 0.75000000 1.0 Al Al66 1 0.85257403 0.40441290 0.25000000 1.0 Al Al67 1 0.55184509 0.14742874 0.25000000 1.0 Al Al68 1 0.59559006 0.44815483 0.25000000 1.0 Al Al69 1 0.44816113 0.59558710 0.25000000 1.0 Al Al70 1 0.40441635 0.85257126 0.25000000 1.0 Al Al71 1 0.14743523 0.55184517 0.25000000 1.0 Al Al72 1 0.24685893 0.49371786 0.50000000 1.0 Al Al73 1 0.24685469 0.75314243 0.49999696 1.0 Al Al74 1 0.50628774 0.75314243 0.50000304 1.0 Al Al75 1 0.75314107 0.50628214 0.50000000 1.0 Al Al76 1 0.49371226 0.24685757 0.49999696 1.0 Al Al77 1 0.75314531 0.24685757 0.50000304 1.0 Al Al78 1 0.75314107 0.50628214 0.00000000 1.0 Al Al79 1 0.75314531 0.24685757 0.99999696 1.0 Al Al80 1 0.49371226 0.24685757 0.00000304 1.0 Al Al81 1 0.24685893 0.49371786 0.00000000 1.0 Al Al82 1 0.50628774 0.75314243 0.99999696 1.0 Al Al83 1 0.24685469 0.75314243 0.00000304 1.0 Al Al84 1 0.33332999 0.66666877 0.62664007 1.0 Al Al85 1 0.66666123 0.33333123 0.62664007 1.0 Al Al86 1 0.66667001 0.33333123 0.37335993 1.0 Al Al87 1 0.33333877 0.66666877 0.37335993 1.0 Al Al88 1 0.66667001 0.33333123 0.12664007 1.0 Al Al89 1 0.33333877 0.66666877 0.12664007 1.0 Al Al90 1 0.33332999 0.66666877 0.87335993 1.0 Al Al91 1 0.66666123 0.33333123 0.87335993 1.0 Al Al92 1 0.14695418 0.00000000 0.75000000 1.0 Al Al93 1 0.85303780 0.85303871 0.75000000 1.0 Al Al94 1 0.99999909 0.14696129 0.75000000 1.0 Al Al95 1 0.85304582 1.00000000 0.25000000 1.0 Al Al96 1 0.14696220 0.14696129 0.25000000 1.0 Al Al97 1 0.00000091 0.85303871 0.25000000 1.0 W W98 1 0.73001133 1.00000000 0.75000000 1.0 W W99 1 0.26998267 0.26998695 0.75000000 1.0 W W100 1 0.99999572 0.73001305 0.75000000 1.0 W W101 1 0.26998867 0.00000000 0.25000000 1.0 W W102 1 0.73001733 0.73001305 0.25000000 1.0 W W103 1 0.00000428 0.26998695 0.25000000 1.0 W W104 1 -0.00000000 0.00000000 0.50000000 1.0 W W105 1 -0.00000000 0.00000000 0.00000000 1.0