# generated using pymatgen data_Zr2Sc2Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96058099 _cell_length_b 6.98856098 _cell_length_c 6.96058056 _cell_angle_alpha 109.45969651 _cell_angle_beta 109.33157759 _cell_angle_gamma 109.45968759 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Sc2Si6Ir7 _chemical_formula_sum 'Zr2 Sc2 Si6 Ir7' _cell_volume 261.17118728 _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 Zr Zr0 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.50000000 0.00000000 0.00000000 1.0 Sc Sc2 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.67987897 0.67629819 0.99641922 1.0 Si Si5 1 0.31992485 0.00000000 0.31992485 1.0 Si Si6 1 0.00358078 0.32370181 0.32012103 1.0 Si Si7 1 0.32012103 0.32370181 0.00358078 1.0 Si Si8 1 0.68007515 1.00000000 0.68007515 1.0 Si Si9 1 0.99641922 0.67629819 0.67987897 1.0 Ir Ir10 1 0.74981222 0.24917233 0.49936011 1.0 Ir Ir11 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir12 1 0.49936011 0.24917233 0.74981222 1.0 Ir Ir13 1 0.25000000 0.50000000 0.75000000 1.0 Ir Ir14 1 0.25018778 0.75082767 0.50063989 1.0 Ir Ir15 1 0.50063989 0.75082767 0.25018778 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0