# generated using pymatgen data_Er5Sc5(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.45051229 _cell_length_b 12.45051229 _cell_length_c 4.14463270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Sc5(Si5Ir2)4 _chemical_formula_sum 'Er5 Sc5 Si20 Ir8' _cell_volume 642.48130032 _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 0.00000000 0.00000000 0.00000000 1.0 Er Er1 1 0.88477020 0.38563073 0.50000000 1.0 Er Er2 1 0.11522980 0.61436927 0.50000000 1.0 Er Er3 1 0.38563073 0.11522980 0.50000000 1.0 Er Er4 1 0.61436927 0.88477020 0.50000000 1.0 Sc Sc5 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc6 1 0.67271538 0.17435649 0.50000000 1.0 Sc Sc7 1 0.32728462 0.82564351 0.50000000 1.0 Sc Sc8 1 0.17435649 0.32728462 0.50000000 1.0 Sc Sc9 1 0.82564351 0.67271538 0.50000000 1.0 Si Si10 1 0.56649015 0.06787900 0.00000000 1.0 Si Si11 1 0.43350985 0.93212100 0.00000000 1.0 Si Si12 1 0.06787900 0.43350985 0.00000000 1.0 Si Si13 1 0.93212100 0.56649015 0.00000000 1.0 Si Si14 1 0.66601911 0.70032416 0.00000000 1.0 Si Si15 1 0.33398089 0.29967584 0.00000000 1.0 Si Si16 1 0.16624011 0.79942558 0.00000000 1.0 Si Si17 1 0.83375989 0.20057442 0.00000000 1.0 Si Si18 1 0.29967584 0.66601911 0.00000000 1.0 Si Si19 1 0.70032416 0.33398089 0.00000000 1.0 Si Si20 1 0.20057442 0.16624011 0.00000000 1.0 Si Si21 1 0.79942558 0.83375989 0.00000000 1.0 Si Si22 1 0.65074031 0.50750141 0.50000000 1.0 Si Si23 1 0.34925969 0.49249859 0.50000000 1.0 Si Si24 1 0.15605981 0.99285468 0.50000000 1.0 Si Si25 1 0.84394019 0.00714532 0.50000000 1.0 Si Si26 1 0.49249859 0.65074031 0.50000000 1.0 Si Si27 1 0.50750141 0.34925969 0.50000000 1.0 Si Si28 1 0.00714532 0.15605981 0.50000000 1.0 Si Si29 1 0.99285468 0.84394019 0.50000000 1.0 Ir Ir30 1 0.74334401 0.52007701 0.00000000 1.0 Ir Ir31 1 0.25665599 0.47992299 0.00000000 1.0 Ir Ir32 1 0.24622657 0.97975097 0.00000000 1.0 Ir Ir33 1 0.75377343 0.02024903 0.00000000 1.0 Ir Ir34 1 0.47992299 0.74334401 0.00000000 1.0 Ir Ir35 1 0.52007701 0.25665599 0.00000000 1.0 Ir Ir36 1 0.02024903 0.24622657 0.00000000 1.0 Ir Ir37 1 0.97975097 0.75377343 0.00000000 1.0