# generated using pymatgen data_Sc(TiTc6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26014172 _cell_length_b 8.26014079 _cell_length_c 8.26014153 _cell_angle_alpha 109.47121525 _cell_angle_beta 109.47121295 _cell_angle_gamma 109.47123062 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(TiTc6)4 _chemical_formula_sum 'Sc1 Ti4 Tc24' _cell_volume 433.85095993 _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 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.62578108 1.00000000 0.00000000 1.0 Ti Ti2 1 1.00000000 0.62578108 1.00000000 1.0 Ti Ti3 1 0.00000000 0.00000000 0.62578108 1.0 Ti Ti4 1 0.37421892 0.37421892 0.37421892 1.0 Tc Tc5 1 0.39777734 0.67859215 0.00000000 1.0 Tc Tc6 1 0.71918519 0.32140785 0.32140785 1.0 Tc Tc7 1 0.39777734 0.00000000 0.67859215 1.0 Tc Tc8 1 0.67859215 0.39777734 0.00000000 1.0 Tc Tc9 1 0.00000000 0.39777734 0.67859215 1.0 Tc Tc10 1 0.32140785 0.71918519 0.32140785 1.0 Tc Tc11 1 0.32140785 0.32140785 0.71918519 1.0 Tc Tc12 1 1.00000000 0.67859215 0.39777734 1.0 Tc Tc13 1 0.67859215 0.00000000 0.39777734 1.0 Tc Tc14 1 0.60222266 0.60222266 0.28081481 1.0 Tc Tc15 1 0.28081481 0.60222266 0.60222266 1.0 Tc Tc16 1 0.60222266 0.28081481 0.60222266 1.0 Tc Tc17 1 0.37445409 0.19406957 0.00000000 1.0 Tc Tc18 1 0.18038353 0.80593043 0.80593043 1.0 Tc Tc19 1 0.37445409 1.00000000 0.19406957 1.0 Tc Tc20 1 0.19406957 0.37445409 1.00000000 1.0 Tc Tc21 1 1.00000000 0.37445409 0.19406957 1.0 Tc Tc22 1 0.80593043 0.18038353 0.80593043 1.0 Tc Tc23 1 0.80593043 0.80593043 0.18038353 1.0 Tc Tc24 1 0.00000000 0.19406957 0.37445409 1.0 Tc Tc25 1 0.19406957 0.00000000 0.37445409 1.0 Tc Tc26 1 0.62554591 0.62554591 0.81961647 1.0 Tc Tc27 1 0.81961647 0.62554591 0.62554591 1.0 Tc Tc28 1 0.62554591 0.81961647 0.62554591 1.0