# generated using pymatgen data_Sm6Al43Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.07519768 _cell_length_b 11.07515039 _cell_length_c 17.74584694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00014532 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Al43Mo4 _chemical_formula_sum 'Sm12 Al86 Mo8' _cell_volume 1885.07158100 _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 0.53003576 -0.00000000 0.59522253 1.0 Sm Sm1 1 0.46995364 0.46995706 0.59522405 1.0 Sm Sm2 1 0.99999658 0.53004294 0.59522405 1.0 Sm Sm3 1 0.46996424 0.00000000 0.40477747 1.0 Sm Sm4 1 0.53004636 0.53004294 0.40477595 1.0 Sm Sm5 1 0.00000342 0.46995706 0.40477595 1.0 Sm Sm6 1 0.46996424 0.00000000 0.09522253 1.0 Sm Sm7 1 0.53004636 0.53004294 0.09522405 1.0 Sm Sm8 1 0.00000342 0.46995706 0.09522405 1.0 Sm Sm9 1 0.53003576 -0.00000000 0.90477747 1.0 Sm Sm10 1 0.46995364 0.46995706 0.90477595 1.0 Sm Sm11 1 0.99999658 0.53004294 0.90477595 1.0 Al Al12 1 0.15823910 0.39331369 0.66458071 1.0 Al Al13 1 0.23506961 0.84176748 0.66458410 1.0 Al Al14 1 0.60668219 0.76492999 0.66458126 1.0 Al Al15 1 0.76492540 0.60668631 0.66458071 1.0 Al Al16 1 0.39330213 0.15823252 0.66458410 1.0 Al Al17 1 0.84175220 0.23507001 0.66458126 1.0 Al Al18 1 0.84176090 0.60668631 0.33541929 1.0 Al Al19 1 0.76493039 0.15823252 0.33541590 1.0 Al Al20 1 0.39331781 0.23507001 0.33541874 1.0 Al Al21 1 0.23507460 0.39331369 0.33541929 1.0 Al Al22 1 0.60669787 0.84176748 0.33541590 1.0 Al Al23 1 0.15824780 0.76492999 0.33541874 1.0 Al Al24 1 0.84176090 0.60668631 0.16458071 1.0 Al Al25 1 0.76493039 0.15823252 0.16458410 1.0 Al Al26 1 0.39331781 0.23507001 0.16458126 1.0 Al Al27 1 0.23507460 0.39331369 0.16458071 1.0 Al Al28 1 0.60669787 0.84176748 0.16458410 1.0 Al Al29 1 0.15824780 0.76492999 0.16458126 1.0 Al Al30 1 0.15823910 0.39331369 0.83541929 1.0 Al Al31 1 0.23506961 0.84176748 0.83541590 1.0 Al Al32 1 0.60668219 0.76492999 0.83541874 1.0 Al Al33 1 0.76492540 0.60668631 0.83541929 1.0 Al Al34 1 0.39330213 0.15823252 0.83541590 1.0 Al Al35 1 0.84175220 0.23507001 0.83541874 1.0 Al Al36 1 0.15737645 1.00000000 0.11564657 1.0 Al Al37 1 0.84262625 0.84262294 0.11564554 1.0 Al Al38 1 0.00000332 0.15737706 0.11564554 1.0 Al Al39 1 0.84262355 0.00000000 0.88435343 1.0 Al Al40 1 0.15737375 0.15737706 0.88435446 1.0 Al Al41 1 0.99999668 0.84262294 0.88435446 1.0 Al Al42 1 0.84262355 0.00000000 0.61564657 1.0 Al Al43 1 0.15737375 0.15737706 0.61564554 1.0 Al Al44 1 0.99999668 0.84262294 0.61564554 1.0 Al Al45 1 0.15737645 1.00000000 0.38435343 1.0 Al Al46 1 0.84262625 0.84262294 0.38435446 1.0 Al Al47 1 0.00000332 0.15737706 0.38435446 1.0 Al Al48 1 0.25162437 1.00000000 0.53119370 1.0 Al Al49 1 0.74837462 0.74837184 0.53119660 1.0 Al Al50 1 0.00000277 0.25162816 0.53119660 1.0 Al Al51 1 0.74837563 0.00000000 0.46880630 1.0 Al Al52 1 0.25162538 0.25162816 0.46880340 1.0 Al Al53 1 0.99999723 0.74837184 0.46880340 1.0 Al Al54 1 0.74837563 0.00000000 0.03119370 1.0 Al Al55 1 0.25162538 0.25162816 0.03119660 1.0 Al Al56 1 0.99999723 0.74837184 0.03119660 1.0 Al Al57 1 0.25162437 1.00000000 0.96880630 1.0 Al Al58 1 0.74837462 0.74837184 0.96880340 1.0 Al Al59 1 0.00000277 0.25162816 0.96880340 1.0 Al Al60 1 0.14772944 0.59623906 0.75000000 1.0 Al Al61 1 0.44849603 0.85226070 0.75000000 1.0 Al Al62 1 0.40375352 0.55150678 0.75000000 1.0 Al Al63 1 0.55149039 0.40376094 0.75000000 1.0 Al Al64 1 0.59623533 0.14773930 0.75000000 1.0 Al Al65 1 0.85224674 0.44849322 0.75000000 1.0 Al Al66 1 0.85227056 0.40376094 0.25000000 1.0 Al Al67 1 0.55150397 0.14773930 0.25000000 1.0 Al Al68 1 0.59624648 0.44849322 0.25000000 1.0 Al Al69 1 0.44850961 0.59623906 0.25000000 1.0 Al Al70 1 0.40376467 0.85226070 0.25000000 1.0 Al Al71 1 0.14775326 0.55150678 0.25000000 1.0 Al Al72 1 0.24703751 0.49407501 0.50000000 1.0 Al Al73 1 0.24703340 0.75296293 0.49999664 1.0 Al Al74 1 0.50592953 0.75296293 0.50000336 1.0 Al Al75 1 0.75296249 0.50592499 0.50000000 1.0 Al Al76 1 0.49407047 0.24703707 0.49999664 1.0 Al Al77 1 0.75296660 0.24703707 0.50000336 1.0 Al Al78 1 0.75296249 0.50592499 -0.00000000 1.0 Al Al79 1 0.75296660 0.24703707 0.99999664 1.0 Al Al80 1 0.49407047 0.24703707 0.00000336 1.0 Al Al81 1 0.24703751 0.49407501 -0.00000000 1.0 Al Al82 1 0.50592953 0.75296293 0.99999664 1.0 Al Al83 1 0.24703340 0.75296293 0.00000336 1.0 Al Al84 1 0.33333023 0.66666793 0.62694278 1.0 Al Al85 1 0.66666230 0.33333207 0.62694278 1.0 Al Al86 1 0.66666977 0.33333207 0.37305722 1.0 Al Al87 1 0.33333770 0.66666793 0.37305722 1.0 Al Al88 1 0.66666977 0.33333207 0.12694278 1.0 Al Al89 1 0.33333770 0.66666793 0.12694278 1.0 Al Al90 1 0.33333023 0.66666793 0.87305722 1.0 Al Al91 1 0.66666230 0.33333207 0.87305722 1.0 Al Al92 1 0.14606788 1.00000000 0.75000000 1.0 Al Al93 1 0.85391848 0.85392062 0.75000000 1.0 Al Al94 1 0.99999786 0.14607938 0.75000000 1.0 Al Al95 1 0.85393212 0.00000000 0.25000000 1.0 Al Al96 1 0.14608152 0.14607938 0.25000000 1.0 Al Al97 1 0.00000214 0.85392062 0.25000000 1.0 Mo Mo98 1 0.73067151 0.00000000 0.75000000 1.0 Mo Mo99 1 0.26932287 0.26932670 0.75000000 1.0 Mo Mo100 1 0.99999617 0.73067330 0.75000000 1.0 Mo Mo101 1 0.26932849 1.00000000 0.25000000 1.0 Mo Mo102 1 0.73067713 0.73067330 0.25000000 1.0 Mo Mo103 1 0.00000383 0.26932670 0.25000000 1.0 Mo Mo104 1 0.00000000 -0.00000000 0.50000000 1.0 Mo Mo105 1 0.00000000 -0.00000000 -0.00000000 1.0