# generated using pymatgen data_Hf5NbAl16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64487147 _cell_length_b 8.62800359 _cell_length_c 8.62800383 _cell_angle_alpha 60.12939161 _cell_angle_beta 59.93529753 _cell_angle_gamma 59.93529852 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5NbAl16Ir7 _chemical_formula_sum 'Hf5 Nb1 Al16 Ir7' _cell_volume 455.05178500 _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 0.32584544 0.67415356 0.67415356 1.0 Hf Hf1 1 0.30917981 0.69081919 0.30987595 1.0 Hf Hf2 1 0.30917981 0.30987595 0.69081919 1.0 Hf Hf3 1 0.69012305 0.30987595 0.69081919 1.0 Hf Hf4 1 0.69012305 0.69081919 0.30987595 1.0 Nb Nb5 1 0.66333465 0.33666435 0.33666435 1.0 Al Al6 1 0.33981193 0.33728821 0.33728821 1.0 Al Al7 1 0.33897748 0.33584468 0.98619937 1.0 Al Al8 1 0.98561066 0.33728821 0.33728821 1.0 Al Al9 1 0.33897748 0.98619937 0.33584468 1.0 Al Al10 1 0.66415532 0.66102252 0.66102252 1.0 Al Al11 1 0.66271179 0.66018807 0.01438934 1.0 Al Al12 1 0.66271179 0.01438934 0.66018807 1.0 Al Al13 1 0.01380063 0.66102252 0.66102252 1.0 Al Al14 1 0.11761689 0.12037449 0.12037449 1.0 Al Al15 1 0.12056659 0.12011124 0.63875457 1.0 Al Al16 1 0.64163413 0.12037449 0.12037449 1.0 Al Al17 1 0.12056659 0.63875457 0.12011124 1.0 Al Al18 1 0.87988776 0.87943241 0.87943241 1.0 Al Al19 1 0.87962451 0.88238211 0.35836887 1.0 Al Al20 1 0.87962451 0.35836887 0.88238211 1.0 Al Al21 1 0.36124843 0.87943241 0.87943241 1.0 Ir Ir22 1 0.00192822 0.99807178 0.99807178 1.0 Ir Ir23 1 0.50158801 0.99841199 0.99841199 1.0 Ir Ir24 1 0.00158801 0.49841199 0.49841199 1.0 Ir Ir25 1 0.99901153 0.49922279 0.00098847 1.0 Ir Ir26 1 0.99901153 0.00098847 0.49922279 1.0 Ir Ir27 1 0.50077721 0.00098847 0.49922279 1.0 Ir Ir28 1 0.50077721 0.49922279 0.00098847 1.0