# generated using pymatgen data_Hf18FeMo8Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52750364 _cell_length_b 8.64510895 _cell_length_c 8.64510895 _cell_angle_alpha 119.99860123 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18FeMo8Se _chemical_formula_sum 'Hf18 Fe1 Mo8 Se1' _cell_volume 551.94983503 _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 0.54641921 0.80623409 0.61245924 1.0 Hf Hf1 1 0.54643146 0.80622086 0.19377914 1.0 Hf Hf2 1 0.54641921 0.38754076 0.19376591 1.0 Hf Hf3 1 0.44157964 0.20335415 0.40670571 1.0 Hf Hf4 1 0.44157106 0.20335805 0.79664195 1.0 Hf Hf5 1 0.44157964 0.59329429 0.79664585 1.0 Hf Hf6 1 0.05842036 0.20335415 0.40670571 1.0 Hf Hf7 1 0.05842894 0.20335805 0.79664195 1.0 Hf Hf8 1 0.05842036 0.59329429 0.79664585 1.0 Hf Hf9 1 0.95358079 0.80623409 0.61245924 1.0 Hf Hf10 1 0.95356854 0.80622086 0.19377914 1.0 Hf Hf11 1 0.95358079 0.38754076 0.19376591 1.0 Hf Hf12 1 0.75000000 0.45554072 0.91107963 1.0 Hf Hf13 1 0.75000000 0.45554824 0.54445176 1.0 Hf Hf14 1 0.75000000 0.08892037 0.54445928 1.0 Hf Hf15 1 0.25000000 0.54037849 0.08074601 1.0 Hf Hf16 1 0.25000000 0.54037353 0.45962647 1.0 Hf Hf17 1 0.25000000 0.91925399 0.45962151 1.0 Fe Fe18 1 0.25000000 0.33334422 0.66665578 1.0 Mo Mo19 1 0.75000000 0.11057849 0.22117442 1.0 Mo Mo20 1 0.75000000 0.11058078 0.88941922 1.0 Mo Mo21 1 0.75000000 0.77882558 0.88942151 1.0 Mo Mo22 1 0.25000000 0.88871779 0.77742824 1.0 Mo Mo23 1 0.25000000 0.88871418 0.11128582 1.0 Mo Mo24 1 0.25000000 0.22257176 0.11128221 1.0 Mo Mo25 1 0.49724037 0.00000006 0.99999994 1.0 Mo Mo26 1 0.00275963 0.00000006 0.99999994 1.0 Se Se27 1 0.75000000 0.66664534 0.33335466 1.0