# generated using pymatgen data_Sc11Tc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51087031 _cell_length_b 9.51087098 _cell_length_c 9.51087038 _cell_angle_alpha 59.99999862 _cell_angle_beta 59.99999628 _cell_angle_gamma 59.99999986 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11Tc4 _chemical_formula_sum 'Sc22 Tc8' _cell_volume 608.33919394 _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 Sc Sc0 1 0.80169563 0.80169563 0.19830437 1.0 Sc Sc1 1 0.19830437 0.80169563 0.19830437 1.0 Sc Sc2 1 0.80169563 0.19830437 0.19830437 1.0 Sc Sc3 1 0.19830437 0.19830437 0.80169563 1.0 Sc Sc4 1 0.80169563 0.19830437 0.80169563 1.0 Sc Sc5 1 0.19830437 0.80169563 0.80169563 1.0 Sc Sc6 1 0.61725262 0.61725262 0.14824014 1.0 Sc Sc7 1 0.61725262 0.14824014 0.61725262 1.0 Sc Sc8 1 0.14824014 0.61725262 0.61725262 1.0 Sc Sc9 1 0.61725262 0.61725262 0.61725262 1.0 Sc Sc10 1 0.38274738 0.38274738 0.85175986 1.0 Sc Sc11 1 0.38274738 0.85175986 0.38274738 1.0 Sc Sc12 1 0.85175986 0.38274738 0.38274738 1.0 Sc Sc13 1 0.38274738 0.38274738 0.38274738 1.0 Sc Sc14 1 0.84405423 0.84405423 0.46783631 1.0 Sc Sc15 1 0.84405423 0.46783631 0.84405423 1.0 Sc Sc16 1 0.46783631 0.84405423 0.84405423 1.0 Sc Sc17 1 0.84405423 0.84405423 0.84405423 1.0 Sc Sc18 1 0.15594577 0.15594577 0.53216369 1.0 Sc Sc19 1 0.15594577 0.53216369 0.15594577 1.0 Sc Sc20 1 0.53216369 0.15594577 0.15594577 1.0 Sc Sc21 1 0.15594577 0.15594577 0.15594577 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc26 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc27 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc28 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc29 1 0.50000000 0.00000000 0.00000000 1.0