# generated using pymatgen data_Sc2ZnSi2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41405228 _cell_length_b 9.41405228 _cell_length_c 3.40548875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ZnSi2Ir5 _chemical_formula_sum 'Sc4 Zn2 Si4 Ir10' _cell_volume 301.80933040 _cell_formula_units_Z 2 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 0.17256845 0.67256845 0.00000000 1.0 Sc Sc1 1 0.82743155 0.32743155 0.00000000 1.0 Sc Sc2 1 0.32743155 0.17256845 0.00000000 1.0 Sc Sc3 1 0.67256845 0.82743155 0.00000000 1.0 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn5 1 0.50000000 0.50000000 0.00000000 1.0 Si Si6 1 0.37169673 0.87169673 0.00000000 1.0 Si Si7 1 0.87169673 0.62830327 0.00000000 1.0 Si Si8 1 0.12830327 0.37169673 0.00000000 1.0 Si Si9 1 0.62830327 0.12830327 0.00000000 1.0 Ir Ir10 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir11 1 0.70648973 0.56930637 0.50000000 1.0 Ir Ir12 1 0.56930637 0.29351027 0.50000000 1.0 Ir Ir13 1 0.43069363 0.70648973 0.50000000 1.0 Ir Ir14 1 0.29351027 0.43069363 0.50000000 1.0 Ir Ir15 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir16 1 0.93069363 0.79351027 0.50000000 1.0 Ir Ir17 1 0.79351027 0.06930637 0.50000000 1.0 Ir Ir18 1 0.20648973 0.93069363 0.50000000 1.0 Ir Ir19 1 0.06930637 0.20648973 0.50000000 1.0