# generated using pymatgen data_Sc22Tc7Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50453248 _cell_length_b 9.50453281 _cell_length_c 9.50453277 _cell_angle_alpha 60.00000012 _cell_angle_beta 59.99999898 _cell_angle_gamma 60.00000046 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc7Ir _chemical_formula_sum 'Sc22 Tc7 Ir1' _cell_volume 607.12386784 _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 0.80186695 0.80186695 0.19813305 1.0 Sc Sc1 1 0.19813305 0.80186695 0.19813305 1.0 Sc Sc2 1 0.80186695 0.19813305 0.19813305 1.0 Sc Sc3 1 0.19813305 0.19813305 0.80186695 1.0 Sc Sc4 1 0.80186695 0.19813305 0.80186695 1.0 Sc Sc5 1 0.19813305 0.80186695 0.80186695 1.0 Sc Sc6 1 0.61703936 0.61703936 0.14887993 1.0 Sc Sc7 1 0.61703936 0.14887993 0.61703936 1.0 Sc Sc8 1 0.14887993 0.61703936 0.61703936 1.0 Sc Sc9 1 0.61703936 0.61703936 0.61703936 1.0 Sc Sc10 1 0.38296064 0.38296064 0.85112007 1.0 Sc Sc11 1 0.38296064 0.85112007 0.38296064 1.0 Sc Sc12 1 0.85112007 0.38296064 0.38296064 1.0 Sc Sc13 1 0.38296064 0.38296064 0.38296064 1.0 Sc Sc14 1 0.84383450 0.84383450 0.46849449 1.0 Sc Sc15 1 0.84383450 0.46849449 0.84383450 1.0 Sc Sc16 1 0.46849449 0.84383450 0.84383450 1.0 Sc Sc17 1 0.84383450 0.84383450 0.84383450 1.0 Sc Sc18 1 0.15616550 0.15616550 0.53150551 1.0 Sc Sc19 1 0.15616550 0.53150551 0.15616550 1.0 Sc Sc20 1 0.53150551 0.15616550 0.15616550 1.0 Sc Sc21 1 0.15616550 0.15616550 0.15616550 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc26 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc27 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc28 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir29 1 0.50000000 0.50000000 0.50000000 1.0