# generated using pymatgen data_ZrSc3CdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03648317 _cell_length_b 9.03648350 _cell_length_c 9.03648416 _cell_angle_alpha 60.00000841 _cell_angle_beta 60.00000721 _cell_angle_gamma 60.00000184 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3CdIr _chemical_formula_sum 'Zr4 Sc12 Cd4 Ir4' _cell_volume 521.77522667 _cell_formula_units_Z 4 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 Zr Zr0 1 0.35148614 0.35148614 0.35148614 1.0 Zr Zr1 1 0.35148614 0.35148614 0.94553957 1.0 Zr Zr2 1 0.35148614 0.94553957 0.35148614 1.0 Zr Zr3 1 0.94553957 0.35148614 0.35148614 1.0 Sc Sc4 1 0.80970783 0.19029217 0.19029217 1.0 Sc Sc5 1 0.19029217 0.80970783 0.80970783 1.0 Sc Sc6 1 0.19029217 0.80970783 0.19029217 1.0 Sc Sc7 1 0.80970783 0.19029217 0.80970783 1.0 Sc Sc8 1 0.19029217 0.19029217 0.80970783 1.0 Sc Sc9 1 0.80970783 0.80970783 0.19029217 1.0 Sc Sc10 1 0.93876262 0.56123738 0.56123738 1.0 Sc Sc11 1 0.56123738 0.93876262 0.93876262 1.0 Sc Sc12 1 0.56123738 0.93876262 0.56123738 1.0 Sc Sc13 1 0.93876262 0.56123738 0.93876262 1.0 Sc Sc14 1 0.56123738 0.56123738 0.93876262 1.0 Sc Sc15 1 0.93876262 0.93876262 0.56123738 1.0 Cd Cd16 1 0.58347151 0.58347151 0.58347151 1.0 Cd Cd17 1 0.58347151 0.58347151 0.24958546 1.0 Cd Cd18 1 0.58347151 0.24958546 0.58347151 1.0 Cd Cd19 1 0.24958546 0.58347151 0.58347151 1.0 Ir Ir20 1 0.14309206 0.14309206 0.14309206 1.0 Ir Ir21 1 0.14309206 0.14309206 0.57072382 1.0 Ir Ir22 1 0.14309206 0.57072382 0.14309206 1.0 Ir Ir23 1 0.57072382 0.14309206 0.14309206 1.0