# generated using pymatgen data_Sc5Al16AsIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65004956 _cell_length_b 8.71027478 _cell_length_c 8.71027597 _cell_angle_alpha 59.54308184 _cell_angle_beta 60.22846043 _cell_angle_gamma 60.22846255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Al16AsIr7 _chemical_formula_sum 'Sc5 Al16 As1 Ir7' _cell_volume 464.00872008 _cell_formula_units_Z 1 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 Sc Sc0 1 0.79832733 0.20167267 0.20167267 1.0 Sc Sc1 1 0.78460303 0.21539697 0.77874887 1.0 Sc Sc2 1 0.78460303 0.77874887 0.21539697 1.0 Sc Sc3 1 0.22125113 0.77874887 0.21539697 1.0 Sc Sc4 1 0.22125113 0.21539697 0.77874887 1.0 Al Al5 1 0.86899183 0.83224437 0.83224437 1.0 Al Al6 1 0.84525800 0.82074164 0.48874436 1.0 Al Al7 1 0.46652043 0.83224437 0.83224437 1.0 Al Al8 1 0.84525800 0.48874436 0.82074164 1.0 Al Al9 1 0.17925836 0.15474200 0.15474200 1.0 Al Al10 1 0.16775563 0.13100817 0.53347957 1.0 Al Al11 1 0.16775563 0.53347957 0.13100817 1.0 Al Al12 1 0.51125564 0.15474200 0.15474200 1.0 Al Al13 1 0.60982060 0.62044583 0.62044583 1.0 Al Al14 1 0.63032636 0.61696473 0.12238155 1.0 Al Al15 1 0.14928674 0.62044583 0.62044583 1.0 Al Al16 1 0.63032636 0.12238155 0.61696473 1.0 Al Al17 1 0.38303527 0.36967364 0.36967364 1.0 Al Al18 1 0.37955417 0.39017940 0.85071326 1.0 Al Al19 1 0.37955417 0.85071326 0.39017940 1.0 Al Al20 1 0.87761845 0.36967364 0.36967364 1.0 As As21 1 0.02393893 0.97606107 0.97606107 1.0 Ir Ir22 1 0.51152997 0.48847003 0.48847003 1.0 Ir Ir23 1 0.01149970 0.48850030 0.48850030 1.0 Ir Ir24 1 0.51149970 0.98850030 0.98850030 1.0 Ir Ir25 1 0.51484082 0.99488212 0.48515918 1.0 Ir Ir26 1 0.51484082 0.48515918 0.99488212 1.0 Ir Ir27 1 0.00511788 0.48515918 0.99488212 1.0 Ir Ir28 1 0.00511788 0.99488212 0.48515918 1.0