# generated using pymatgen data_Hf10SiMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69760039 _cell_length_b 8.69760039 _cell_length_c 8.74844700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000295 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf10SiMo3 _chemical_formula_sum 'Hf20 Si2 Mo6' _cell_volume 573.13968951 _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 0.20015500 0.79984500 0.45530700 1.0 Hf Hf1 1 0.20015500 0.40031000 0.45530700 1.0 Hf Hf2 1 0.59969000 0.79984500 0.45530700 1.0 Hf Hf3 1 0.79984500 0.20015500 0.54469300 1.0 Hf Hf4 1 0.79984500 0.59969000 0.54469300 1.0 Hf Hf5 1 0.40031000 0.20015500 0.54469300 1.0 Hf Hf6 1 0.79984500 0.20015500 0.95530700 1.0 Hf Hf7 1 0.79984500 0.59969000 0.95530700 1.0 Hf Hf8 1 0.40031000 0.20015500 0.95530700 1.0 Hf Hf9 1 0.20015500 0.79984500 0.04469300 1.0 Hf Hf10 1 0.20015500 0.40031000 0.04469300 1.0 Hf Hf11 1 0.59969000 0.79984500 0.04469300 1.0 Hf Hf12 1 0.53808000 0.46192000 0.25000000 1.0 Hf Hf13 1 0.53808000 0.07616000 0.25000000 1.0 Hf Hf14 1 0.92384000 0.46192000 0.25000000 1.0 Hf Hf15 1 0.46192000 0.53808000 0.75000000 1.0 Hf Hf16 1 0.46192000 0.92384000 0.75000000 1.0 Hf Hf17 1 0.07616000 0.53808000 0.75000000 1.0 Hf Hf18 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf19 1 0.00000000 0.00000000 0.00000000 1.0 Si Si20 1 0.33333300 0.66666700 0.25000000 1.0 Si Si21 1 0.66666700 0.33333300 0.75000000 1.0 Mo Mo22 1 0.88434400 0.11565600 0.25000000 1.0 Mo Mo23 1 0.88434400 0.76868800 0.25000000 1.0 Mo Mo24 1 0.23131200 0.11565600 0.25000000 1.0 Mo Mo25 1 0.11565600 0.88434400 0.75000000 1.0 Mo Mo26 1 0.11565600 0.23131200 0.75000000 1.0 Mo Mo27 1 0.76868800 0.88434400 0.75000000 1.0