# generated using pymatgen data_Tb5Sc5(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48605841 _cell_length_b 12.48605841 _cell_length_c 4.16752197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Sc5(Si5Ir2)4 _chemical_formula_sum 'Tb5 Sc5 Si20 Ir8' _cell_volume 649.72357088 _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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.88459111 0.38598762 0.50000000 1.0 Tb Tb2 1 0.11540889 0.61401238 0.50000000 1.0 Tb Tb3 1 0.38598762 0.11540889 0.50000000 1.0 Tb Tb4 1 0.61401238 0.88459111 0.50000000 1.0 Sc Sc5 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc6 1 0.67252332 0.17474267 0.50000000 1.0 Sc Sc7 1 0.32747668 0.82525733 0.50000000 1.0 Sc Sc8 1 0.17474267 0.32747668 0.50000000 1.0 Sc Sc9 1 0.82525733 0.67252332 0.50000000 1.0 Si Si10 1 0.56666996 0.06861180 0.00000000 1.0 Si Si11 1 0.43333004 0.93138820 0.00000000 1.0 Si Si12 1 0.06861180 0.43333004 0.00000000 1.0 Si Si13 1 0.93138820 0.56666996 0.00000000 1.0 Si Si14 1 0.66574699 0.70016748 0.00000000 1.0 Si Si15 1 0.33425301 0.29983252 0.00000000 1.0 Si Si16 1 0.16616323 0.79935484 0.00000000 1.0 Si Si17 1 0.83383677 0.20064516 0.00000000 1.0 Si Si18 1 0.29983252 0.66574699 0.00000000 1.0 Si Si19 1 0.70016748 0.33425301 0.00000000 1.0 Si Si20 1 0.20064516 0.16616323 0.00000000 1.0 Si Si21 1 0.79935484 0.83383677 0.00000000 1.0 Si Si22 1 0.65054451 0.50757507 0.50000000 1.0 Si Si23 1 0.34945549 0.49242493 0.50000000 1.0 Si Si24 1 0.15788594 0.99300882 0.50000000 1.0 Si Si25 1 0.84211406 0.00699118 0.50000000 1.0 Si Si26 1 0.49242493 0.65054451 0.50000000 1.0 Si Si27 1 0.50757507 0.34945549 0.50000000 1.0 Si Si28 1 0.00699118 0.15788594 0.50000000 1.0 Si Si29 1 0.99300882 0.84211406 0.50000000 1.0 Ir Ir30 1 0.74228599 0.52070829 0.00000000 1.0 Ir Ir31 1 0.25771401 0.47929171 0.00000000 1.0 Ir Ir32 1 0.24642755 0.97900625 0.00000000 1.0 Ir Ir33 1 0.75357245 0.02099375 0.00000000 1.0 Ir Ir34 1 0.47929171 0.74228599 0.00000000 1.0 Ir Ir35 1 0.52070829 0.25771401 0.00000000 1.0 Ir Ir36 1 0.02099375 0.24642755 0.00000000 1.0 Ir Ir37 1 0.97900625 0.75357245 0.00000000 1.0