# generated using pymatgen data_Hf2Tc3(B2Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06778276 _cell_length_b 8.53410454 _cell_length_c 9.95868946 _cell_angle_alpha 89.79985878 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Tc3(B2Ru)2 _chemical_formula_sum 'Hf4 Tc6 B8 Ru4' _cell_volume 260.72465539 _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 0.50000000 0.83720434 0.18211635 1.0 Hf Hf1 1 0.50000000 0.16279566 0.81788365 1.0 Hf Hf2 1 0.50000000 0.65896860 0.68222057 1.0 Hf Hf3 1 0.50000000 0.34103140 0.31777943 1.0 Tc Tc4 1 0.00000000 0.66188511 0.95298459 1.0 Tc Tc5 1 0.00000000 0.33811489 0.04701541 1.0 Tc Tc6 1 0.00000000 0.83972294 0.45443865 1.0 Tc Tc7 1 0.00000000 0.16027706 0.54556135 1.0 Tc Tc8 1 0.00000000 0.40742557 0.76083739 1.0 Tc Tc9 1 0.00000000 0.59257443 0.23916261 1.0 B B10 1 0.50000000 0.96732120 0.58757636 1.0 B B11 1 0.50000000 0.03267880 0.41242364 1.0 B B12 1 0.50000000 0.84832471 0.90159540 1.0 B B13 1 0.50000000 0.15167529 0.09840460 1.0 B B14 1 0.50000000 0.65072157 0.39869202 1.0 B B15 1 0.50000000 0.34927843 0.60130798 1.0 B B16 1 0.50000000 0.46675662 0.91218993 1.0 B B17 1 0.50000000 0.53324338 0.08781007 1.0 Ru Ru18 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru20 1 0.00000000 0.90730538 0.73986924 1.0 Ru Ru21 1 0.00000000 0.09269462 0.26013076 1.0