# generated using pymatgen data_Sc22Tc5Sn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52543299 _cell_length_b 9.74191875 _cell_length_c 9.74191840 _cell_angle_alpha 58.53517457 _cell_angle_beta 60.73241407 _cell_angle_gamma 60.73241814 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc5Sn2Os _chemical_formula_sum 'Sc22 Tc5 Sn2 Os1' _cell_volume 638.61467125 _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 Sc Sc0 1 0.86277462 0.83278698 0.83278698 1.0 Sc Sc1 1 0.52834758 0.16721302 0.16721302 1.0 Sc Sc2 1 0.16721302 0.13722538 0.52834758 1.0 Sc Sc3 1 0.16721302 0.52834758 0.13722538 1.0 Sc Sc4 1 0.83278698 0.86277462 0.47165242 1.0 Sc Sc5 1 0.83278698 0.47165242 0.86277462 1.0 Sc Sc6 1 0.47165242 0.83278698 0.83278698 1.0 Sc Sc7 1 0.13722538 0.16721302 0.16721302 1.0 Sc Sc8 1 0.19392719 0.80607281 0.19392719 1.0 Sc Sc9 1 0.19616521 0.80383479 0.80383479 1.0 Sc Sc10 1 0.80383479 0.19616521 0.19616521 1.0 Sc Sc11 1 0.80607281 0.80607281 0.19392719 1.0 Sc Sc12 1 0.19392719 0.19392719 0.80607281 1.0 Sc Sc13 1 0.80607281 0.19392719 0.80607281 1.0 Sc Sc14 1 0.39585422 0.37953085 0.37953085 1.0 Sc Sc15 1 0.15491692 0.62046915 0.62046915 1.0 Sc Sc16 1 0.62046915 0.15491692 0.60414578 1.0 Sc Sc17 1 0.62046915 0.60414578 0.15491692 1.0 Sc Sc18 1 0.37953085 0.84508308 0.39585422 1.0 Sc Sc19 1 0.37953085 0.39585422 0.84508308 1.0 Sc Sc20 1 0.84508308 0.37953085 0.37953085 1.0 Sc Sc21 1 0.60414578 0.62046915 0.62046915 1.0 Tc Tc22 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc26 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn27 1 0.00000000 0.50000000 0.50000000 1.0 Sn Sn28 1 0.50000000 0.00000000 0.00000000 1.0 Os Os29 1 0.50000000 0.50000000 0.50000000 1.0