# generated using pymatgen data_Hf18Mo8IrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69411569 _cell_length_b 8.69417124 _cell_length_c 8.55507904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99993836 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Mo8IrSe _chemical_formula_sum 'Hf18 Mo8 Ir1 Se1' _cell_volume 560.02644111 _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 0.54175922 0.08351745 0.25000000 1.0 Hf Hf1 1 0.45583528 0.91167056 0.75000000 1.0 Hf Hf2 1 0.91648255 0.45824078 0.25000000 1.0 Hf Hf3 1 0.08833044 0.54416572 0.75000000 1.0 Hf Hf4 1 0.54175822 0.45823978 0.25000000 1.0 Hf Hf5 1 0.45583528 0.54416572 0.75000000 1.0 Hf Hf6 1 0.19855506 0.39711013 0.05290556 1.0 Hf Hf7 1 0.80584061 0.61168223 0.95388212 1.0 Hf Hf8 1 0.60289087 0.80144594 0.05290456 1.0 Hf Hf9 1 0.80584061 0.61168223 0.54611788 1.0 Hf Hf10 1 0.38831777 0.19415939 0.95388312 1.0 Hf Hf11 1 0.19855506 0.39711013 0.44709444 1.0 Hf Hf12 1 0.19855506 0.80144594 0.05290556 1.0 Hf Hf13 1 0.38831777 0.19415939 0.54611688 1.0 Hf Hf14 1 0.80584061 0.19415839 0.95388212 1.0 Hf Hf15 1 0.60289087 0.80144594 0.44709544 1.0 Hf Hf16 1 0.80584061 0.19415839 0.54611788 1.0 Hf Hf17 1 0.19855506 0.80144594 0.44709444 1.0 Mo Mo18 1 0.00000000 0.00000000 0.00198945 1.0 Mo Mo19 1 0.00000000 0.00000000 0.49801055 1.0 Mo Mo20 1 0.88869199 0.77738397 0.25000000 1.0 Mo Mo21 1 0.11002063 0.22004325 0.75000000 1.0 Mo Mo22 1 0.22261603 0.11130901 0.25000000 1.0 Mo Mo23 1 0.77995575 0.88997837 0.75000000 1.0 Mo Mo24 1 0.88869199 0.11130801 0.25000000 1.0 Mo Mo25 1 0.11002063 0.88997837 0.75000000 1.0 Ir Ir26 1 0.33333300 0.66666500 0.25000000 1.0 Se Se27 1 0.66666700 0.33333400 0.75000000 1.0