# generated using pymatgen data_Hf9Ta4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78127452 _cell_length_b 8.78127417 _cell_length_c 8.82162530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999755 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Ta4Se _chemical_formula_sum 'Hf18 Ta8 Se2' _cell_volume 589.10721357 _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 0.54318574 0.08637248 0.25000000 1.0 Hf Hf1 1 0.45681426 0.91362752 0.75000000 1.0 Hf Hf2 1 0.91362752 0.45681426 0.25000000 1.0 Hf Hf3 1 0.08637248 0.54318574 0.75000000 1.0 Hf Hf4 1 0.54318574 0.45681426 0.25000000 1.0 Hf Hf5 1 0.45681426 0.54318574 0.75000000 1.0 Hf Hf6 1 0.19665156 0.39330211 0.04740705 1.0 Hf Hf7 1 0.80334844 0.60669789 0.95259295 1.0 Hf Hf8 1 0.60669789 0.80334844 0.04740705 1.0 Hf Hf9 1 0.80334844 0.60669789 0.54740705 1.0 Hf Hf10 1 0.39330211 0.19665156 0.95259295 1.0 Hf Hf11 1 0.19665156 0.39330211 0.45259295 1.0 Hf Hf12 1 0.19665156 0.80334844 0.04740705 1.0 Hf Hf13 1 0.39330211 0.19665156 0.54740705 1.0 Hf Hf14 1 0.80334844 0.19665156 0.95259295 1.0 Hf Hf15 1 0.60669789 0.80334844 0.45259295 1.0 Hf Hf16 1 0.80334844 0.19665156 0.54740705 1.0 Hf Hf17 1 0.19665156 0.80334844 0.45259295 1.0 Ta Ta18 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta19 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta20 1 0.88712935 0.77425869 0.25000000 1.0 Ta Ta21 1 0.11287065 0.22574131 0.75000000 1.0 Ta Ta22 1 0.22574131 0.11287065 0.25000000 1.0 Ta Ta23 1 0.77425869 0.88712935 0.75000000 1.0 Ta Ta24 1 0.88712935 0.11287065 0.25000000 1.0 Ta Ta25 1 0.11287065 0.88712935 0.75000000 1.0 Se Se26 1 0.33333300 0.66666700 0.25000000 1.0 Se Se27 1 0.66666700 0.33333300 0.75000000 1.0