# generated using pymatgen data_Hf6Al8IrOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06117666 _cell_length_b 9.01544398 _cell_length_c 8.36810245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.96365957 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al8IrOs3 _chemical_formula_sum 'Hf12 Al16 Ir2 Os6' _cell_volume 592.22707035 _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 Hf Hf0 1 0.33780181 0.01276537 0.06142587 1.0 Hf Hf1 1 0.66219819 0.98723463 0.93857413 1.0 Hf Hf2 1 0.99978040 0.33513166 0.05883903 1.0 Hf Hf3 1 0.66219819 0.98723463 0.56142587 1.0 Hf Hf4 1 0.99978040 0.33513166 0.44116097 1.0 Hf Hf5 1 0.00021960 0.66486834 0.94116097 1.0 Hf Hf6 1 0.33780181 0.01276537 0.43857413 1.0 Hf Hf7 1 0.00021960 0.66486834 0.55883903 1.0 Hf Hf8 1 0.66653442 0.66936663 0.06217607 1.0 Hf Hf9 1 0.33346558 0.33063337 0.93782393 1.0 Hf Hf10 1 0.33346558 0.33063337 0.56217607 1.0 Hf Hf11 1 0.66653442 0.66936663 0.43782393 1.0 Al Al12 1 0.33880824 0.84078880 0.75000000 1.0 Al Al13 1 0.65635014 0.50086444 0.75000000 1.0 Al Al14 1 0.66119176 0.15921120 0.25000000 1.0 Al Al15 1 0.34364986 0.49913556 0.25000000 1.0 Al Al16 1 0.82404290 0.31661182 0.75000000 1.0 Al Al17 1 0.17595710 0.68338818 0.25000000 1.0 Al Al18 1 0.33796982 0.66624648 0.50302355 1.0 Al Al19 1 0.66203018 0.33375352 0.49697645 1.0 Al Al20 1 0.66203018 0.33375352 0.00302355 1.0 Al Al21 1 0.33796982 0.66624648 0.99697645 1.0 Al Al22 1 0.16843207 0.00113964 0.75000000 1.0 Al Al23 1 0.83156793 0.99886036 0.25000000 1.0 Al Al24 1 0.00407447 0.17264069 0.75000000 1.0 Al Al25 1 0.99592553 0.82735931 0.25000000 1.0 Al Al26 1 0.83198978 0.82977973 0.75000000 1.0 Al Al27 1 0.16801022 0.17022027 0.25000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir29 1 0.00000000 0.00000000 0.00000000 1.0 Os Os30 1 0.15071631 0.50016931 0.75000000 1.0 Os Os31 1 0.84928369 0.49983069 0.25000000 1.0 Os Os32 1 0.50827499 0.67436604 0.75000000 1.0 Os Os33 1 0.49080486 0.16524383 0.75000000 1.0 Os Os34 1 0.49172501 0.32563396 0.25000000 1.0 Os Os35 1 0.50919514 0.83475617 0.25000000 1.0