# generated using pymatgen data_Hf6Al16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64884914 _cell_length_b 8.64887893 _cell_length_c 8.64894897 _cell_angle_alpha 60.00028713 _cell_angle_beta 60.00017547 _cell_angle_gamma 59.99990261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Ir7 _chemical_formula_sum 'Hf6 Al16 Ir7' _cell_volume 457.47532557 _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 0.68560062 0.31438888 0.31442289 1.0 Hf Hf1 1 0.31440005 0.68561096 0.68557597 1.0 Hf Hf2 1 0.31438210 0.68559292 0.31443107 1.0 Hf Hf3 1 0.68561807 0.31440707 0.68556942 1.0 Hf Hf4 1 0.31439896 0.31441320 0.68557610 1.0 Hf Hf5 1 0.68560102 0.68558690 0.31442386 1.0 Al Al6 1 0.33770936 0.33770837 0.33770675 1.0 Al Al7 1 0.66229048 0.66229169 0.66229328 1.0 Al Al8 1 0.33771239 0.33771184 0.98686440 1.0 Al Al9 1 0.33770953 0.98687548 0.33770673 1.0 Al Al10 1 0.66228731 0.66228844 0.01313573 1.0 Al Al11 1 0.66229041 0.01312480 0.66229310 1.0 Al Al12 1 0.98688015 0.33770736 0.33770547 1.0 Al Al13 1 0.01311972 0.66229268 0.66229468 1.0 Al Al14 1 0.11984430 0.11984911 0.11986000 1.0 Al Al15 1 0.88015563 0.88015099 0.88014025 1.0 Al Al16 1 0.11984995 0.11985442 0.64044174 1.0 Al Al17 1 0.11984454 0.64044643 0.11986021 1.0 Al Al18 1 0.88014996 0.88014573 0.35955804 1.0 Al Al19 1 0.88015536 0.35955342 0.88013997 1.0 Al Al20 1 0.64044819 0.11984702 0.11985827 1.0 Al Al21 1 0.35955134 0.88015308 0.88014196 1.0 Ir Ir22 1 0.50000013 -0.00000002 0.00000007 1.0 Ir Ir23 1 0.00000008 0.49999978 0.50000010 1.0 Ir Ir24 1 0.00000002 0.49999966 0.00000008 1.0 Ir Ir25 1 0.50000013 -0.00000004 0.49999979 1.0 Ir Ir26 1 0.00000015 -0.00000005 0.49999986 1.0 Ir Ir27 1 0.50000039 0.49999953 0.00000012 1.0 Ir Ir28 1 -0.00000035 0.00000035 0.00000009 1.0