# generated using pymatgen data_Sm6Al39Cr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.94585885 _cell_length_b 10.94585885 _cell_length_c 17.43860442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Al39Cr8 _chemical_formula_sum 'Sm12 Al78 Cr16' _cell_volume 1809.43106976 _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 0.46722684 0.46722684 0.90314625 1.0 Sm Sm1 1 0.53277316 0.53277316 0.09685375 1.0 Sm Sm2 1 0.00000000 0.53277316 0.90314625 1.0 Sm Sm3 1 0.53277316 0.53277316 0.40314625 1.0 Sm Sm4 1 0.00000000 0.53277316 0.59685375 1.0 Sm Sm5 1 1.00000000 0.46722684 0.09685375 1.0 Sm Sm6 1 0.46722684 0.46722684 0.59685375 1.0 Sm Sm7 1 1.00000000 0.46722684 0.40314625 1.0 Sm Sm8 1 0.53277316 0.00000000 0.90314625 1.0 Sm Sm9 1 0.46722684 1.00000000 0.09685375 1.0 Sm Sm10 1 0.46722684 1.00000000 0.40314625 1.0 Sm Sm11 1 0.53277316 0.00000000 0.59685375 1.0 Al Al12 1 0.84708059 0.45137435 0.75000000 1.0 Al Al13 1 0.15291941 0.54862565 0.25000000 1.0 Al Al14 1 0.60429377 0.15291941 0.75000000 1.0 Al Al15 1 0.39570623 0.54862565 0.75000000 1.0 Al Al16 1 0.39570623 0.84708059 0.25000000 1.0 Al Al17 1 0.60429377 0.45137435 0.25000000 1.0 Al Al18 1 0.54862565 0.39570623 0.75000000 1.0 Al Al19 1 0.45137435 0.84708059 0.75000000 1.0 Al Al20 1 0.45137435 0.60429377 0.25000000 1.0 Al Al21 1 0.54862565 0.15291941 0.25000000 1.0 Al Al22 1 0.15291941 0.60429377 0.75000000 1.0 Al Al23 1 0.84708059 0.39570623 0.25000000 1.0 Al Al24 1 0.84533933 0.84533933 0.38472578 1.0 Al Al25 1 0.15466067 0.15466067 0.61527422 1.0 Al Al26 1 1.00000000 0.15466067 0.38472578 1.0 Al Al27 1 0.15466067 0.15466067 0.88472578 1.0 Al Al28 1 1.00000000 0.15466067 0.11527422 1.0 Al Al29 1 0.00000000 0.84533933 0.61527422 1.0 Al Al30 1 0.84533933 0.84533933 0.11527422 1.0 Al Al31 1 0.00000000 0.84533933 0.88472578 1.0 Al Al32 1 0.15466067 1.00000000 0.38472578 1.0 Al Al33 1 0.84533933 0.00000000 0.61527422 1.0 Al Al34 1 0.84533933 0.00000000 0.88472578 1.0 Al Al35 1 0.15466067 1.00000000 0.11527422 1.0 Al Al36 1 0.75053341 0.24946659 0.00000000 1.0 Al Al37 1 0.24946659 0.75053341 0.00000000 1.0 Al Al38 1 0.49893318 0.24946659 -0.00000000 1.0 Al Al39 1 0.24946659 0.75053341 0.50000000 1.0 Al Al40 1 0.50106682 0.75053341 0.50000000 1.0 Al Al41 1 0.50106682 0.75053341 0.00000000 1.0 Al Al42 1 0.75053341 0.24946659 0.50000000 1.0 Al Al43 1 0.49893318 0.24946659 0.50000000 1.0 Al Al44 1 0.75053341 0.50106682 0.00000000 1.0 Al Al45 1 0.24946659 0.49893318 -0.00000000 1.0 Al Al46 1 0.24946659 0.49893318 0.50000000 1.0 Al Al47 1 0.75053341 0.50106682 0.50000000 1.0 Al Al48 1 0.84944424 0.84944424 0.75000000 1.0 Al Al49 1 0.15055576 0.15055576 0.25000000 1.0 Al Al50 1 0.00000000 0.15055576 0.75000000 1.0 Al Al51 1 1.00000000 0.84944424 0.25000000 1.0 Al Al52 1 0.15055576 0.00000000 0.75000000 1.0 Al Al53 1 0.84944424 1.00000000 0.25000000 1.0 Al Al54 1 0.75032724 0.75032724 0.97082520 1.0 Al Al55 1 0.24967276 0.24967276 0.02917480 1.0 Al Al56 1 1.00000000 0.24967276 0.97082520 1.0 Al Al57 1 0.24967276 0.24967276 0.47082520 1.0 Al Al58 1 1.00000000 0.24967276 0.52917480 1.0 Al Al59 1 0.00000000 0.75032724 0.02917480 1.0 Al Al60 1 0.75032724 0.75032724 0.52917480 1.0 Al Al61 1 0.00000000 0.75032724 0.47082520 1.0 Al Al62 1 0.24967276 1.00000000 0.97082520 1.0 Al Al63 1 0.75032724 0.00000000 0.02917480 1.0 Al Al64 1 0.75032724 0.00000000 0.47082520 1.0 Al Al65 1 0.24967276 1.00000000 0.52917480 1.0 Al Al66 1 0.83566041 0.23172821 0.83767985 1.0 Al Al67 1 0.16433959 0.76827179 0.16232015 1.0 Al Al68 1 0.39606780 0.16433959 0.83767985 1.0 Al Al69 1 0.16433959 0.76827179 0.33767985 1.0 Al Al70 1 0.60393220 0.76827179 0.66232015 1.0 Al Al71 1 0.60393220 0.83566041 0.16232015 1.0 Al Al72 1 0.83566041 0.23172821 0.66232015 1.0 Al Al73 1 0.39606780 0.23172821 0.33767985 1.0 Al Al74 1 0.76827179 0.60393220 0.83767985 1.0 Al Al75 1 0.60393220 0.83566041 0.33767985 1.0 Al Al76 1 0.23172821 0.83566041 0.66232015 1.0 Al Al77 1 0.23172821 0.39606780 0.16232015 1.0 Al Al78 1 0.39606780 0.16433959 0.66232015 1.0 Al Al79 1 0.76827179 0.16433959 0.33767985 1.0 Al Al80 1 0.39606780 0.23172821 0.16232015 1.0 Al Al81 1 0.60393220 0.76827179 0.83767985 1.0 Al Al82 1 0.23172821 0.39606780 0.33767985 1.0 Al Al83 1 0.76827179 0.16433959 0.16232015 1.0 Al Al84 1 0.76827179 0.60393220 0.66232015 1.0 Al Al85 1 0.23172821 0.83566041 0.83767985 1.0 Al Al86 1 0.16433959 0.39606780 0.66232015 1.0 Al Al87 1 0.83566041 0.60393220 0.33767985 1.0 Al Al88 1 0.83566041 0.60393220 0.16232015 1.0 Al Al89 1 0.16433959 0.39606780 0.83767985 1.0 Cr Cr90 1 0.66666700 0.33333300 0.86781763 1.0 Cr Cr91 1 0.33333300 0.66666700 0.13218237 1.0 Cr Cr92 1 0.33333300 0.66666700 0.36781763 1.0 Cr Cr93 1 0.33333300 0.66666700 0.63218237 1.0 Cr Cr94 1 0.66666700 0.33333300 0.63218237 1.0 Cr Cr95 1 0.66666700 0.33333300 0.36781763 1.0 Cr Cr96 1 0.66666700 0.33333300 0.13218237 1.0 Cr Cr97 1 0.33333300 0.66666700 0.86781763 1.0 Cr Cr98 1 -0.00000000 -0.00000000 0.00000000 1.0 Cr Cr99 1 -0.00000000 -0.00000000 0.50000000 1.0 Cr Cr100 1 0.25789981 0.25789981 0.75000000 1.0 Cr Cr101 1 0.74210019 0.74210019 0.25000000 1.0 Cr Cr102 1 0.00000000 0.74210019 0.75000000 1.0 Cr Cr103 1 1.00000000 0.25789981 0.25000000 1.0 Cr Cr104 1 0.74210019 0.00000000 0.75000000 1.0 Cr Cr105 1 0.25789981 1.00000000 0.25000000 1.0