# generated using pymatgen data_Hf6Al12Si4Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58505934 _cell_length_b 8.61559336 _cell_length_c 8.61559378 _cell_angle_alpha 59.79959355 _cell_angle_beta 59.62836527 _cell_angle_gamma 59.62836493 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al12Si4Ir7 _chemical_formula_sum 'Hf6 Al12 Si4 Ir7' _cell_volume 447.38515548 _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 0.68665216 0.31455946 0.31455946 1.0 Hf Hf1 1 0.31391251 0.68687207 0.68687207 1.0 Hf Hf2 1 0.31342669 0.68665354 0.31311672 1.0 Hf Hf3 1 0.68756021 0.31391831 0.68559050 1.0 Hf Hf4 1 0.31342669 0.31311672 0.68665354 1.0 Hf Hf5 1 0.68756021 0.68559050 0.31391831 1.0 Al Al6 1 0.66347257 0.66426231 0.01035981 1.0 Al Al7 1 0.66347257 0.01035981 0.66426231 1.0 Al Al8 1 0.98502070 0.33842871 0.33842871 1.0 Al Al9 1 0.00920780 0.66432237 0.66432237 1.0 Al Al10 1 0.11762762 0.12139031 0.12139031 1.0 Al Al11 1 0.88093869 0.88058048 0.88058048 1.0 Al Al12 1 0.11809610 0.12083282 0.63878889 1.0 Al Al13 1 0.11809610 0.63878889 0.12083282 1.0 Al Al14 1 0.88157482 0.88138827 0.35945055 1.0 Al Al15 1 0.88157482 0.35945055 0.88138827 1.0 Al Al16 1 0.63474012 0.12125306 0.12125306 1.0 Al Al17 1 0.35900104 0.88141285 0.88141285 1.0 Si Si18 1 0.34331691 0.34552464 0.34552464 1.0 Si Si19 1 0.65899887 0.65906458 0.65906458 1.0 Si Si20 1 0.34344770 0.34561994 0.96516154 1.0 Si Si21 1 0.34344770 0.96516154 0.34561994 1.0 Ir Ir22 1 0.49072727 0.00800698 0.00800698 1.0 Ir Ir23 1 0.00079714 0.49936246 0.49936246 1.0 Ir Ir24 1 0.00771653 0.49612786 0.00030332 1.0 Ir Ir25 1 0.49490010 0.00118302 0.49611510 1.0 Ir Ir26 1 0.00771653 0.00030332 0.49612786 1.0 Ir Ir27 1 0.49490010 0.49611510 0.00118302 1.0 Ir Ir28 1 0.99867475 0.00034953 0.00034953 1.0