# generated using pymatgen data_Zr6Si6Tc5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75046916 _cell_length_b 7.76245563 _cell_length_c 7.75027376 _cell_angle_alpha 126.61645812 _cell_angle_beta 127.68396410 _cell_angle_gamma 77.97206417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Si6Tc5Ru _chemical_formula_sum 'Zr6 Si6 Tc5 Ru1' _cell_volume 287.08608552 _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 Zr Zr0 1 0.45113703 0.65966686 0.70662942 1.0 Zr Zr1 1 0.54817128 0.25325257 0.20350619 1.0 Zr Zr2 1 0.74967220 0.84699263 0.59901568 1.0 Zr Zr3 1 0.24806785 0.84709130 0.09737019 1.0 Zr Zr4 1 0.04944237 0.25321987 0.70463246 1.0 Zr Zr5 1 0.95300368 0.65954382 0.20851316 1.0 Si Si6 1 0.24991902 0.25338207 0.50236795 1.0 Si Si7 1 0.75098294 0.25332118 0.00353070 1.0 Si Si8 1 0.33292690 0.58592256 0.25275368 1.0 Si Si9 1 0.66656340 0.92067968 0.25441967 1.0 Si Si10 1 0.16650518 0.92111162 0.75463747 1.0 Si Si11 1 0.83237537 0.58536189 0.75314860 1.0 Tc Tc12 1 0.50054821 0.50499708 0.00450055 1.0 Tc Tc13 1 0.99970774 0.50556732 0.50589614 1.0 Tc Tc14 1 0.12669436 0.25340768 0.12670281 1.0 Tc Tc15 1 0.87365236 0.00086980 0.12730783 1.0 Tc Tc16 1 0.37473270 0.00192668 0.62709480 1.0 Ru Ru17 1 0.62589740 0.25328739 0.62757869 1.0