# generated using pymatgen data_Sc9TiTc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80053400 _cell_length_b 8.80053336 _cell_length_c 7.99429502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc9TiTc3 _chemical_formula_sum 'Sc18 Ti2 Tc6' _cell_volume 536.20253247 _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 0.40208563 0.20104282 0.05472493 1.0 Sc Sc1 1 0.79895718 0.20104282 0.05472493 1.0 Sc Sc2 1 0.79895618 0.59791337 0.05472493 1.0 Sc Sc3 1 0.09491329 0.54745715 0.25000000 1.0 Sc Sc4 1 0.45254285 0.54745715 0.25000000 1.0 Sc Sc5 1 0.45254285 0.90508771 0.25000000 1.0 Sc Sc6 1 0.40208563 0.20104282 0.44527507 1.0 Sc Sc7 1 0.79895718 0.20104282 0.44527507 1.0 Sc Sc8 1 0.79895618 0.59791337 0.44527507 1.0 Sc Sc9 1 0.20104282 0.40208663 0.55472593 1.0 Sc Sc10 1 0.20104182 0.79895718 0.55472593 1.0 Sc Sc11 1 0.59791437 0.79895718 0.55472593 1.0 Sc Sc12 1 0.54745615 0.09491229 0.75000100 1.0 Sc Sc13 1 0.54745715 0.45254285 0.75000100 1.0 Sc Sc14 1 0.90508771 0.45254285 0.75000100 1.0 Sc Sc15 1 0.20104282 0.40208663 0.94527407 1.0 Sc Sc16 1 0.20104182 0.79895718 0.94527407 1.0 Sc Sc17 1 0.59791437 0.79895718 0.94527407 1.0 Ti Ti18 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti19 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc20 1 0.11268973 0.22537945 0.25000000 1.0 Tc Tc21 1 0.11268873 0.88731027 0.25000000 1.0 Tc Tc22 1 0.77462155 0.88731027 0.25000000 1.0 Tc Tc23 1 0.22537945 0.11268973 0.75000100 1.0 Tc Tc24 1 0.88731027 0.11268973 0.75000100 1.0 Tc Tc25 1 0.88730927 0.77462055 0.75000100 1.0