# generated using pymatgen data_Hf3Sc4TaRu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39559521 _cell_length_b 4.52303613 _cell_length_c 9.04354754 _cell_angle_alpha 89.99952489 _cell_angle_beta 90.00005321 _cell_angle_gamma 90.00051901 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Sc4TaRu8 _chemical_formula_sum 'Hf3 Sc4 Ta1 Ru8' _cell_volume 261.60729577 _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 0.25002484 0.24999700 0.12487638 1.0 Hf Hf1 1 0.75001556 0.75000200 0.37500124 1.0 Hf Hf2 1 0.24998266 0.24999800 0.62512369 1.0 Sc Sc3 1 0.75002884 0.25000200 0.12486812 1.0 Sc Sc4 1 0.25002101 0.75000100 0.37499489 1.0 Sc Sc5 1 0.74997723 0.25000300 0.62513200 1.0 Sc Sc6 1 0.24997075 0.75000100 0.87500413 1.0 Ta Ta7 1 0.74999003 0.75000100 0.87499860 1.0 Ru Ru8 1 0.50304382 0.75000000 0.12030851 1.0 Ru Ru9 1 0.99698855 0.75000000 0.12031616 1.0 Ru Ru10 1 0.49972279 0.24999800 0.37499990 1.0 Ru Ru11 1 0.00029956 0.24999800 0.37500072 1.0 Ru Ru12 1 0.99694727 0.74999700 0.62968710 1.0 Ru Ru13 1 0.50301529 0.74999900 0.62968666 1.0 Ru Ru14 1 0.99374082 0.25000200 0.87499661 1.0 Ru Ru15 1 0.50623097 0.25000000 0.87500229 1.0