# generated using pymatgen data_Sc22Tc3Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47908113 _cell_length_b 9.46783054 _cell_length_c 9.46783138 _cell_angle_alpha 60.07862640 _cell_angle_beta 59.96068311 _cell_angle_gamma 59.96068895 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc3Ir5 _chemical_formula_sum 'Sc22 Tc3 Ir5' _cell_volume 600.82915805 _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 0.80382844 0.80382844 0.19617156 1.0 Sc Sc1 1 0.19617156 0.80382844 0.19617156 1.0 Sc Sc2 1 0.80289845 0.19710155 0.19710155 1.0 Sc Sc3 1 0.19617156 0.19617156 0.80382844 1.0 Sc Sc4 1 0.80382844 0.19617156 0.80382844 1.0 Sc Sc5 1 0.19710155 0.80289845 0.80289845 1.0 Sc Sc6 1 0.61647727 0.61806098 0.14898448 1.0 Sc Sc7 1 0.61647727 0.14898448 0.61806098 1.0 Sc Sc8 1 0.14898448 0.61647727 0.61647727 1.0 Sc Sc9 1 0.61806098 0.61647727 0.61647727 1.0 Sc Sc10 1 0.38352273 0.38193902 0.85101552 1.0 Sc Sc11 1 0.38352273 0.85101552 0.38193902 1.0 Sc Sc12 1 0.85101552 0.38352273 0.38352273 1.0 Sc Sc13 1 0.38193902 0.38352273 0.38352273 1.0 Sc Sc14 1 0.84406459 0.84479229 0.46707653 1.0 Sc Sc15 1 0.84406459 0.46707653 0.84479229 1.0 Sc Sc16 1 0.46707653 0.84406459 0.84406459 1.0 Sc Sc17 1 0.84479229 0.84406459 0.84406459 1.0 Sc Sc18 1 0.15593541 0.15520771 0.53292347 1.0 Sc Sc19 1 0.15593541 0.53292347 0.15520771 1.0 Sc Sc20 1 0.53292347 0.15593541 0.15593541 1.0 Sc Sc21 1 0.15520771 0.15593541 0.15593541 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir28 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir29 1 0.00000000 0.50000000 0.00000000 1.0