# generated using pymatgen data_Zr5Ta(SiTc)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72647108 _cell_length_b 7.72707274 _cell_length_c 7.72647032 _cell_angle_alpha 126.52701562 _cell_angle_beta 127.90499323 _cell_angle_gamma 77.90192317 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ta(SiTc)6 _chemical_formula_sum 'Zr5 Ta1 Si6 Tc6' _cell_volume 283.48129045 _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 0.95013418 0.90878066 0.45864649 1.0 Zr Zr1 1 0.04686344 0.49866404 0.95180060 1.0 Zr Zr2 1 0.54946253 0.50845225 0.45898872 1.0 Zr Zr3 1 0.45337713 0.90561560 0.95223847 1.0 Zr Zr4 1 0.74983654 0.09933130 0.84949576 1.0 Ta Ta5 1 0.25017894 0.10065425 0.35047632 1.0 Si Si6 1 0.74977970 0.50368422 0.25390352 1.0 Si Si7 1 0.25022192 0.50038068 0.75015976 1.0 Si Si8 1 0.65907654 0.16915921 0.49879985 1.0 Si Si9 1 0.32908906 0.83978777 0.49825167 1.0 Si Si10 1 0.17035836 0.16915921 0.01008267 1.0 Si Si11 1 0.84153610 0.83978777 0.01069870 1.0 Tc Tc12 1 0.49514431 0.75793325 0.25309328 1.0 Tc Tc13 1 0.00483997 0.75793325 0.76278894 1.0 Tc Tc14 1 0.87616589 0.24903525 0.37631366 1.0 Tc Tc15 1 0.12692061 0.50020151 0.37591032 1.0 Tc Tc16 1 0.37272159 0.24903525 0.87286836 1.0 Tc Tc17 1 0.62429119 0.50020151 0.87328190 1.0