# generated using pymatgen data_Zr6TcOs3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62789767 _cell_length_b 6.53678034 _cell_length_c 13.88189250 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99983721 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6TcOs3Ru2 _chemical_formula_sum 'Zr12 Tc2 Os6 Ru4' _cell_volume 419.94877189 _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 Zr Zr0 1 0.50000137 0.25058903 0.00088011 1.0 Zr Zr1 1 0.50000137 0.74941097 0.00088011 1.0 Zr Zr2 1 0.99997963 0.24940631 0.16570575 1.0 Zr Zr3 1 0.99997963 0.75059369 0.16570575 1.0 Zr Zr4 1 0.49997059 0.24943000 0.33198579 1.0 Zr Zr5 1 0.49997059 0.75057000 0.33198579 1.0 Zr Zr6 1 0.99999470 0.25003814 0.49966808 1.0 Zr Zr7 1 0.99999470 0.74996186 0.49966808 1.0 Zr Zr8 1 0.50003255 0.24996175 0.66705953 1.0 Zr Zr9 1 0.50003255 0.75003825 0.66705953 1.0 Zr Zr10 1 0.00002380 0.25057687 0.83467741 1.0 Zr Zr11 1 0.00002380 0.74942313 0.83467741 1.0 Tc Tc12 1 0.00000180 0.50000000 0.99900440 1.0 Tc Tc13 1 0.49997643 0.00000000 0.16757589 1.0 Os Os14 1 0.00000107 0.00000000 0.99900381 1.0 Os Os15 1 0.49997744 0.50000000 0.16758957 1.0 Os Os16 1 0.99996729 0.00000000 0.33487366 1.0 Os Os17 1 0.49999880 0.50000000 0.50065144 1.0 Os Os18 1 0.00002622 0.00000000 0.66609459 1.0 Os Os19 1 0.50002537 0.50000000 0.83180103 1.0 Ru Ru20 1 0.99996762 0.50000000 0.33487572 1.0 Ru Ru21 1 0.49999697 0.00000000 0.50064279 1.0 Ru Ru22 1 0.00002836 0.50000000 0.66613119 1.0 Ru Ru23 1 0.50002438 0.00000000 0.83180056 1.0