# generated using pymatgen data_Hf5Nb(SiTc)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67725292 _cell_length_b 7.67786668 _cell_length_c 7.67725424 _cell_angle_alpha 126.32524179 _cell_angle_beta 128.16280747 _cell_angle_gamma 77.86024997 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Nb(SiTc)6 _chemical_formula_sum 'Hf5 Nb1 Si6 Tc6' _cell_volume 277.86695871 _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 0.55028986 0.09179164 0.04150178 1.0 Hf Hf1 1 0.45199414 0.49948465 0.54749151 1.0 Hf Hf2 1 0.94974342 0.49128669 0.04154327 1.0 Hf Hf3 1 0.04804226 0.09547327 0.54743201 1.0 Hf Hf4 1 0.74999929 0.89946069 0.64946140 1.0 Nb Nb5 1 0.24999885 0.90162324 0.15162440 1.0 Si Si6 1 0.75000046 0.49711189 0.24711143 1.0 Si Si7 1 0.24998563 0.50012242 0.75013680 1.0 Si Si8 1 0.33015959 0.82985830 0.49123723 1.0 Si Si9 1 0.66138605 0.16109208 0.49124414 1.0 Si Si10 1 0.83862107 0.82985830 0.99969872 1.0 Si Si11 1 0.16984993 0.16109208 0.99970703 1.0 Tc Tc12 1 0.49772539 0.24207900 0.73977876 1.0 Tc Tc13 1 0.00230025 0.24207900 0.24435361 1.0 Tc Tc14 1 0.12717645 0.75208803 0.62504907 1.0 Tc Tc15 1 0.87289669 0.49780284 0.62501112 1.0 Tc Tc16 1 0.62703997 0.75208803 0.12491259 1.0 Tc Tc17 1 0.37279172 0.49780284 0.12490615 1.0