# generated using pymatgen data_ErSc9(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.37549332 _cell_length_b 12.37549332 _cell_length_c 4.09830777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.94225181 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErSc9(Si5Ir2)4 _chemical_formula_sum 'Er1 Sc9 Si20 Ir8' _cell_volume 627.66713471 _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 Er Er0 1 0.61521188 0.88478812 0.50000000 1.0 Sc Sc1 1 0.50003678 0.49947442 0.00000000 1.0 Sc Sc2 1 0.00052558 0.99996322 0.00000000 1.0 Sc Sc3 1 0.67354432 0.17456168 0.50000000 1.0 Sc Sc4 1 0.32543832 0.82645568 0.50000000 1.0 Sc Sc5 1 0.17339705 0.32660295 0.50000000 1.0 Sc Sc6 1 0.82737614 0.67262386 0.50000000 1.0 Sc Sc7 1 0.88362956 0.38352295 0.50000000 1.0 Sc Sc8 1 0.11647705 0.61637044 0.50000000 1.0 Sc Sc9 1 0.38451075 0.11548925 0.50000000 1.0 Si Si10 1 0.56610012 0.06723715 0.00000000 1.0 Si Si11 1 0.43276285 0.93389988 0.00000000 1.0 Si Si12 1 0.06611765 0.43388235 0.00000000 1.0 Si Si13 1 0.93423338 0.56576662 0.00000000 1.0 Si Si14 1 0.66653931 0.69948789 0.00000000 1.0 Si Si15 1 0.33379900 0.29934202 0.00000000 1.0 Si Si16 1 0.16568789 0.79936211 0.00000000 1.0 Si Si17 1 0.83441242 0.20147557 0.00000000 1.0 Si Si18 1 0.29852443 0.66558758 0.00000000 1.0 Si Si19 1 0.70063789 0.33431211 0.00000000 1.0 Si Si20 1 0.20065798 0.16620100 0.00000000 1.0 Si Si21 1 0.80051211 0.83346069 0.00000000 1.0 Si Si22 1 0.65214219 0.50532632 0.50000000 1.0 Si Si23 1 0.34788775 0.49414203 0.50000000 1.0 Si Si24 1 0.15184308 0.99472580 0.50000000 1.0 Si Si25 1 0.84987431 0.00830327 0.50000000 1.0 Si Si26 1 0.49169673 0.65012569 0.50000000 1.0 Si Si27 1 0.50527420 0.34815692 0.50000000 1.0 Si Si28 1 0.00585797 0.15211225 0.50000000 1.0 Si Si29 1 0.99467368 0.84785781 0.50000000 1.0 Ir Ir30 1 0.74632669 0.51910003 0.00000000 1.0 Ir Ir31 1 0.25378558 0.48035494 0.00000000 1.0 Ir Ir32 1 0.24526389 0.98086621 0.00000000 1.0 Ir Ir33 1 0.75575447 0.02019283 0.00000000 1.0 Ir Ir34 1 0.47980717 0.74424553 0.00000000 1.0 Ir Ir35 1 0.51913379 0.25473611 0.00000000 1.0 Ir Ir36 1 0.01964506 0.24621442 0.00000000 1.0 Ir Ir37 1 0.98089997 0.75367331 0.00000000 1.0