# generated using pymatgen data_HfSc3Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96052565 _cell_length_b 6.94294818 _cell_length_c 6.96052593 _cell_angle_alpha 109.42007498 _cell_angle_beta 109.52231938 _cell_angle_gamma 109.42007175 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc3Si6Ir7 _chemical_formula_sum 'Hf1 Sc3 Si6 Ir7' _cell_volume 259.10743581 _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 Hf Hf0 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc2 1 0.50000000 0.00000000 0.00000000 1.0 Sc Sc3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.68023781 0.68292782 1.00000000 1.0 Si Si5 1 0.31976219 0.00268901 0.31976219 1.0 Si Si6 1 1.00000000 0.31707218 0.31976219 1.0 Si Si7 1 0.31976219 0.31707218 0.00000000 1.0 Si Si8 1 0.68023781 0.99731099 0.68023781 1.0 Si Si9 1 0.00000000 0.68292782 0.68023781 1.0 Ir Ir10 1 0.75092575 0.25092575 0.50185249 1.0 Ir Ir11 1 0.75092575 0.50000000 0.24907425 1.0 Ir Ir12 1 0.50185249 0.25092575 0.75092575 1.0 Ir Ir13 1 0.24907425 0.50000000 0.75092575 1.0 Ir Ir14 1 0.24907425 0.74907425 0.49814751 1.0 Ir Ir15 1 0.49814751 0.74907425 0.24907425 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0