# generated using pymatgen data_Sc22CoTc3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44672341 _cell_length_b 9.43759246 _cell_length_c 9.43759249 _cell_angle_alpha 60.06402304 _cell_angle_beta 59.96798370 _cell_angle_gamma 59.96799535 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22CoTc3Ir4 _chemical_formula_sum 'Sc22 Co1 Tc3 Ir4' _cell_volume 594.96009109 _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 0.80334046 0.80334046 0.19665954 1.0 Sc Sc1 1 0.19665954 0.80334046 0.19665954 1.0 Sc Sc2 1 0.80281131 0.19718869 0.19718869 1.0 Sc Sc3 1 0.19665954 0.19665954 0.80334046 1.0 Sc Sc4 1 0.80334046 0.19665954 0.80334046 1.0 Sc Sc5 1 0.19718869 0.80281131 0.80281131 1.0 Sc Sc6 1 0.61437332 0.61586358 0.15538979 1.0 Sc Sc7 1 0.61437332 0.15538979 0.61586358 1.0 Sc Sc8 1 0.15538979 0.61437332 0.61437332 1.0 Sc Sc9 1 0.61586358 0.61437332 0.61437332 1.0 Sc Sc10 1 0.38562668 0.38413642 0.84461021 1.0 Sc Sc11 1 0.38562668 0.84461021 0.38413642 1.0 Sc Sc12 1 0.84461021 0.38562668 0.38562668 1.0 Sc Sc13 1 0.38413642 0.38562668 0.38562668 1.0 Sc Sc14 1 0.84345629 0.84398300 0.46910341 1.0 Sc Sc15 1 0.84345629 0.46910341 0.84398300 1.0 Sc Sc16 1 0.46910341 0.84345629 0.84345629 1.0 Sc Sc17 1 0.84398300 0.84345629 0.84345629 1.0 Sc Sc18 1 0.15654371 0.15601700 0.53089659 1.0 Sc Sc19 1 0.15654371 0.53089659 0.15601700 1.0 Sc Sc20 1 0.53089659 0.15654371 0.15654371 1.0 Sc Sc21 1 0.15601700 0.15654371 0.15654371 1.0 Co Co22 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc24 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc25 1 0.50000000 0.00000000 0.00000000 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