# generated using pymatgen data_Hf9Mo4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68940772 _cell_length_b 8.68940650 _cell_length_c 8.59171164 _cell_angle_alpha 89.99999192 _cell_angle_beta 90.00000337 _cell_angle_gamma 120.00002389 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Mo4Se _chemical_formula_sum 'Hf18 Mo8 Se2' _cell_volume 561.81135079 _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 0.54324980 0.08649988 0.25000026 1.0 Hf Hf1 1 0.45676039 0.91352093 0.74999989 1.0 Hf Hf2 1 0.91349754 0.45674880 0.25000018 1.0 Hf Hf3 1 0.08647840 0.54323917 0.74999992 1.0 Hf Hf4 1 0.54325004 0.45674930 0.25000014 1.0 Hf Hf5 1 0.45676024 0.54323885 0.74999986 1.0 Hf Hf6 1 0.19447722 0.38895574 0.04527530 1.0 Hf Hf7 1 0.80550155 0.61100307 0.95476231 1.0 Hf Hf8 1 0.61104402 0.80552228 0.04527477 1.0 Hf Hf9 1 0.80550142 0.61100282 0.54523790 1.0 Hf Hf10 1 0.38899707 0.19449786 0.95476200 1.0 Hf Hf11 1 0.19447740 0.38895594 0.45472441 1.0 Hf Hf12 1 0.19447738 0.80552235 0.04527568 1.0 Hf Hf13 1 0.38899749 0.19449794 0.54523831 1.0 Hf Hf14 1 0.80550085 0.19449758 0.95476138 1.0 Hf Hf15 1 0.61104382 0.80552241 0.45472511 1.0 Hf Hf16 1 0.80550063 0.19449771 0.54523869 1.0 Hf Hf17 1 0.19447758 0.80552251 0.45472445 1.0 Mo Mo18 1 0.00000047 0.00000037 -0.00000163 1.0 Mo Mo19 1 0.00000054 0.00000031 0.50000157 1.0 Mo Mo20 1 0.88992598 0.77985089 0.25000017 1.0 Mo Mo21 1 0.11004346 0.22008853 0.74999998 1.0 Mo Mo22 1 0.22014953 0.11007386 0.25000015 1.0 Mo Mo23 1 0.77991090 0.88995646 0.74999991 1.0 Mo Mo24 1 0.88992473 0.11007421 0.25000019 1.0 Mo Mo25 1 0.11004450 0.88995587 0.74999991 1.0 Se Se26 1 0.33333843 0.66667101 0.24999962 1.0 Se Se27 1 0.66666761 0.33333536 0.75000057 1.0