# generated using pymatgen data_Er(Al5Re)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90152575 _cell_length_b 6.90152575 _cell_length_c 26.75868640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.17274951 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er(Al5Re)2 _chemical_formula_sum 'Er6 Al60 Re12' _cell_volume 1267.15500450 _cell_formula_units_Z 6 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 Er Er0 1 0.87539957 0.12460043 0.58459432 1.0 Er Er1 1 0.12460043 0.87539957 0.41540568 1.0 Er Er2 1 0.12460043 0.87539957 0.08459432 1.0 Er Er3 1 0.87539957 0.12460043 0.91540568 1.0 Er Er4 1 0.61795318 0.38204682 0.75000000 1.0 Er Er5 1 0.38204682 0.61795318 0.25000000 1.0 Al Al6 1 0.59522913 0.40477087 0.63323343 1.0 Al Al7 1 0.40477087 0.59522913 0.36676657 1.0 Al Al8 1 0.40477087 0.59522913 0.13323343 1.0 Al Al9 1 0.59522913 0.40477087 0.86676657 1.0 Al Al10 1 0.17506095 0.39813438 0.75000000 1.0 Al Al11 1 0.82493905 0.60186562 0.25000000 1.0 Al Al12 1 0.60186562 0.82493905 0.75000000 1.0 Al Al13 1 0.39813438 0.17506095 0.25000000 1.0 Al Al14 1 0.87473364 0.12526636 0.14581625 1.0 Al Al15 1 0.12526636 0.87473364 0.85418375 1.0 Al Al16 1 0.12526636 0.87473364 0.64581625 1.0 Al Al17 1 0.87473364 0.12526636 0.35418375 1.0 Al Al18 1 0.36997829 0.63002171 0.67859381 1.0 Al Al19 1 0.63002171 0.36997829 0.32140619 1.0 Al Al20 1 0.63002171 0.36997829 0.17859381 1.0 Al Al21 1 0.36997829 0.63002171 0.82140619 1.0 Al Al22 1 0.22766819 0.47151127 0.58082927 1.0 Al Al23 1 0.77233181 0.52848873 0.41917073 1.0 Al Al24 1 0.77233181 0.52848873 0.08082927 1.0 Al Al25 1 0.52848873 0.77233181 0.91917073 1.0 Al Al26 1 0.22766819 0.47151127 0.91917073 1.0 Al Al27 1 0.47151127 0.22766819 0.08082927 1.0 Al Al28 1 0.47151127 0.22766819 0.41917073 1.0 Al Al29 1 0.52848873 0.77233181 0.58082927 1.0 Al Al30 1 0.96387727 0.73778858 0.75000000 1.0 Al Al31 1 0.03612273 0.26221142 0.25000000 1.0 Al Al32 1 0.26221142 0.03612273 0.75000000 1.0 Al Al33 1 0.73778858 0.96387727 0.25000000 1.0 Al Al34 1 0.62242274 0.37757726 0.52207749 1.0 Al Al35 1 0.37757726 0.62242274 0.47792251 1.0 Al Al36 1 0.37757726 0.62242274 0.02207749 1.0 Al Al37 1 0.62242274 0.37757726 0.97792251 1.0 Al Al38 1 0.96832945 0.47376010 0.67083635 1.0 Al Al39 1 0.03167055 0.52623990 0.32916365 1.0 Al Al40 1 0.03167055 0.52623990 0.17083635 1.0 Al Al41 1 0.52623990 0.03167055 0.82916365 1.0 Al Al42 1 0.96832945 0.47376010 0.82916365 1.0 Al Al43 1 0.47376010 0.96832945 0.17083635 1.0 Al Al44 1 0.47376010 0.96832945 0.32916365 1.0 Al Al45 1 0.52623990 0.03167055 0.67083635 1.0 Al Al46 1 0.90757848 0.09242152 0.69961900 1.0 Al Al47 1 0.09242152 0.90757848 0.30038100 1.0 Al Al48 1 0.09242152 0.90757848 0.19961900 1.0 Al Al49 1 0.90757848 0.09242152 0.80038100 1.0 Al Al50 1 0.87688253 0.62071958 0.58299032 1.0 Al Al51 1 0.12311747 0.37928042 0.41700968 1.0 Al Al52 1 0.12311747 0.37928042 0.08299032 1.0 Al Al53 1 0.37928042 0.12311747 0.91700968 1.0 Al Al54 1 0.87688253 0.62071958 0.91700968 1.0 Al Al55 1 0.62071958 0.87688253 0.08299032 1.0 Al Al56 1 0.62071958 0.87688253 0.41700968 1.0 Al Al57 1 0.37928042 0.12311747 0.58299032 1.0 Al Al58 1 0.20667790 0.20667790 0.50000000 1.0 Al Al59 1 0.79332210 0.79332210 0.50000000 1.0 Al Al60 1 0.79332210 0.79332210 0.00000000 1.0 Al Al61 1 0.20667790 0.20667790 0.00000000 1.0 Al Al62 1 0.83449604 0.16550396 0.03401016 1.0 Al Al63 1 0.16550396 0.83449604 0.96598984 1.0 Al Al64 1 0.16550396 0.83449604 0.53401016 1.0 Al Al65 1 0.83449604 0.16550396 0.46598984 1.0 Re Re66 1 0.24896176 0.25509196 0.66314601 1.0 Re Re67 1 0.75103824 0.74490804 0.33685399 1.0 Re Re68 1 0.75103824 0.74490804 0.16314601 1.0 Re Re69 1 0.74490804 0.75103824 0.83685399 1.0 Re Re70 1 0.24896176 0.25509196 0.83685399 1.0 Re Re71 1 0.25509196 0.24896176 0.16314601 1.0 Re Re72 1 0.25509196 0.24896176 0.33685399 1.0 Re Re73 1 0.74490804 0.75103824 0.66314601 1.0 Re Re74 1 -0.00000000 0.50000000 0.50000000 1.0 Re Re75 1 -0.00000000 0.50000000 0.00000000 1.0 Re Re76 1 0.50000000 0.00000000 0.00000000 1.0 Re Re77 1 0.50000000 0.00000000 0.50000000 1.0