# generated using pymatgen data_Hf2Sc2Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96201819 _cell_length_b 6.94776160 _cell_length_c 6.94776236 _cell_angle_alpha 109.40040529 _cell_angle_beta 109.46508364 _cell_angle_gamma 109.46508379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sc2Si6Ir7 _chemical_formula_sum 'Hf2 Sc2 Si6 Ir7' _cell_volume 258.96885078 _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 0.00000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.50000000 0.00000000 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 0.67762026 0.68072033 0.99689993 1.0 Si Si5 1 0.32237974 0.00310007 0.31927967 1.0 Si Si6 1 0.00000000 0.31923048 0.31923048 1.0 Si Si7 1 0.32237974 0.31927967 0.00310007 1.0 Si Si8 1 0.67762026 0.99689993 0.68072033 1.0 Si Si9 1 1.00000000 0.68076952 0.68076952 1.0 Ir Ir10 1 0.75184588 0.25008443 0.50176145 1.0 Ir Ir11 1 0.75184588 0.50176145 0.25008443 1.0 Ir Ir12 1 0.50000000 0.25000000 0.75000000 1.0 Ir Ir13 1 0.24815412 0.49823855 0.74991557 1.0 Ir Ir14 1 0.24815412 0.74991557 0.49823855 1.0 Ir Ir15 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0