# generated using pymatgen data_Sm6Al43Cr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99659266 _cell_length_b 10.99559237 _cell_length_c 17.67761270 _cell_angle_alpha 89.99998916 _cell_angle_beta 90.00002175 _cell_angle_gamma 120.00301037 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Al43Cr4 _chemical_formula_sum 'Sm12 Al86 Cr8' _cell_volume 1851.04868279 _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 0.52937544 1.00000000 0.59547325 1.0 Sm Sm1 1 0.47062627 0.47063058 0.59548282 1.0 Sm Sm2 1 0.99999568 0.52936942 0.59548282 1.0 Sm Sm3 1 0.47062456 0.00000000 0.40452675 1.0 Sm Sm4 1 0.52937373 0.52936942 0.40451718 1.0 Sm Sm5 1 0.00000432 0.47063058 0.40451718 1.0 Sm Sm6 1 0.47062398 0.00000000 0.09547675 1.0 Sm Sm7 1 0.52937509 0.52937123 0.09548714 1.0 Sm Sm8 1 0.00000386 0.47062877 0.09548714 1.0 Sm Sm9 1 0.52937602 1.00000000 0.90452325 1.0 Sm Sm10 1 0.47062491 0.47062877 0.90451286 1.0 Sm Sm11 1 0.99999614 0.52937123 0.90451286 1.0 Al Al12 1 0.15811344 0.38977344 0.66655415 1.0 Al Al13 1 0.23164176 0.84190581 0.66655543 1.0 Al Al14 1 0.61028736 0.76835225 0.66654735 1.0 Al Al15 1 0.76834000 0.61022656 0.66655415 1.0 Al Al16 1 0.38973595 0.15809419 0.66655543 1.0 Al Al17 1 0.84193511 0.23164775 0.66654735 1.0 Al Al18 1 0.84188656 0.61022656 0.33344585 1.0 Al Al19 1 0.76835824 0.15809419 0.33344457 1.0 Al Al20 1 0.38971264 0.23164775 0.33345265 1.0 Al Al21 1 0.23166000 0.38977344 0.33344585 1.0 Al Al22 1 0.61026405 0.84190581 0.33344457 1.0 Al Al23 1 0.15806489 0.76835225 0.33345265 1.0 Al Al24 1 0.84188585 0.61022592 0.16655457 1.0 Al Al25 1 0.76835823 0.15809491 0.16655576 1.0 Al Al26 1 0.38971328 0.23164762 0.16654775 1.0 Al Al27 1 0.23165993 0.38977408 0.16655457 1.0 Al Al28 1 0.61026332 0.84190509 0.16655576 1.0 Al Al29 1 0.15806566 0.76835238 0.16654775 1.0 Al Al30 1 0.15811415 0.38977408 0.83344543 1.0 Al Al31 1 0.23164177 0.84190509 0.83344424 1.0 Al Al32 1 0.61028672 0.76835238 0.83345225 1.0 Al Al33 1 0.76834007 0.61022592 0.83344543 1.0 Al Al34 1 0.38973668 0.15809491 0.83344424 1.0 Al Al35 1 0.84193434 0.23164762 0.83345225 1.0 Al Al36 1 0.15469448 0.00000000 0.11574365 1.0 Al Al37 1 0.84523869 0.84526232 0.11575997 1.0 Al Al38 1 0.99997637 0.15473768 0.11575997 1.0 Al Al39 1 0.84530552 1.00000000 0.88425635 1.0 Al Al40 1 0.15476131 0.15473768 0.88424003 1.0 Al Al41 1 0.00002363 0.84526232 0.88424003 1.0 Al Al42 1 0.84530885 1.00000000 0.61574196 1.0 Al Al43 1 0.15475809 0.15473434 0.61575827 1.0 Al Al44 1 0.00002376 0.84526566 0.61575827 1.0 Al Al45 1 0.15469115 0.00000000 0.38425804 1.0 Al Al46 1 0.84524191 0.84526566 0.38424173 1.0 Al Al47 1 0.99997624 0.15473434 0.38424173 1.0 Al Al48 1 0.24910657 0.00000000 0.53110316 1.0 Al Al49 1 0.75089865 0.75090124 0.53110442 1.0 Al Al50 1 0.99999741 0.24909876 0.53110442 1.0 Al Al51 1 0.75089343 1.00000000 0.46889684 1.0 Al Al52 1 0.24910135 0.24909876 0.46889558 1.0 Al Al53 1 0.00000259 0.75090124 0.46889558 1.0 Al Al54 1 0.75089078 1.00000000 0.03110314 1.0 Al Al55 1 0.24910399 0.24910129 0.03110446 1.0 Al Al56 1 0.00000270 0.75089871 0.03110446 1.0 Al Al57 1 0.24910922 0.00000000 0.96889686 1.0 Al Al58 1 0.75089601 0.75089871 0.96889554 1.0 Al Al59 1 0.99999730 0.24910129 0.96889554 1.0 Al Al60 1 0.14438960 0.59841264 0.75000006 1.0 Al Al61 1 0.45411287 0.85561604 0.75000006 1.0 Al Al62 1 0.40159910 0.54601807 0.75000001 1.0 Al Al63 1 0.54597695 0.40158736 0.75000006 1.0 Al Al64 1 0.59849683 0.14438396 0.75000006 1.0 Al Al65 1 0.85558102 0.45398193 0.75000001 1.0 Al Al66 1 0.85561040 0.40158736 0.24999994 1.0 Al Al67 1 0.54588713 0.14438396 0.24999994 1.0 Al Al68 1 0.59840090 0.45398193 0.24999999 1.0 Al Al69 1 0.45402305 0.59841264 0.24999994 1.0 Al Al70 1 0.40150317 0.85561604 0.24999994 1.0 Al Al71 1 0.14441898 0.54601807 0.24999999 1.0 Al Al72 1 0.24708782 0.49417565 0.50000000 1.0 Al Al73 1 0.24708926 0.75290077 0.50000810 1.0 Al Al74 1 0.50581151 0.75290077 0.49999190 1.0 Al Al75 1 0.75291218 0.50582435 0.50000000 1.0 Al Al76 1 0.49418849 0.24709923 0.50000810 1.0 Al Al77 1 0.75291074 0.24709923 0.49999190 1.0 Al Al78 1 0.75291210 0.50582420 0.00000000 1.0 Al Al79 1 0.75291074 0.24709934 0.00000822 1.0 Al Al80 1 0.49418860 0.24709934 0.99999178 1.0 Al Al81 1 0.24708790 0.49417580 -0.00000000 1.0 Al Al82 1 0.50581140 0.75290066 0.00000822 1.0 Al Al83 1 0.24708926 0.75290066 0.99999178 1.0 Al Al84 1 0.33336734 0.66671289 0.62843400 1.0 Al Al85 1 0.66665445 0.33328711 0.62843400 1.0 Al Al86 1 0.66663266 0.33328711 0.37156600 1.0 Al Al87 1 0.33334555 0.66671289 0.37156600 1.0 Al Al88 1 0.66663282 0.33328713 0.12843420 1.0 Al Al89 1 0.33334569 0.66671287 0.12843420 1.0 Al Al90 1 0.33336718 0.66671287 0.87156580 1.0 Al Al91 1 0.66665431 0.33328713 0.87156580 1.0 Al Al92 1 0.14457796 1.00000000 0.74999930 1.0 Al Al93 1 0.85554048 0.85541833 0.74999936 1.0 Al Al94 1 0.00012215 0.14458167 0.74999936 1.0 Al Al95 1 0.85542204 0.00000000 0.25000070 1.0 Al Al96 1 0.14445952 0.14458167 0.25000064 1.0 Al Al97 1 0.99987785 0.85541833 0.25000064 1.0 Cr Cr98 1 0.73408968 0.00000000 0.75002194 1.0 Cr Cr99 1 0.26566782 0.26569452 0.74998311 1.0 Cr Cr100 1 0.99997330 0.73430548 0.74998311 1.0 Cr Cr101 1 0.26591032 1.00000000 0.24997806 1.0 Cr Cr102 1 0.73433218 0.73430548 0.25001689 1.0 Cr Cr103 1 0.00002670 0.26569452 0.25001689 1.0 Cr Cr104 1 -0.00000000 -0.00000000 0.50000000 1.0 Cr Cr105 1 -0.00000000 -0.00000000 0.00000000 1.0