# generated using pymatgen data_Sc9NbTc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76659562 _cell_length_b 8.76659514 _cell_length_c 8.18664669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc9NbTc3 _chemical_formula_sum 'Sc18 Nb2 Tc6' _cell_volume 544.87717059 _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 0.40374026 0.20187013 0.05515385 1.0 Sc Sc1 1 0.79812987 0.20187013 0.05515385 1.0 Sc Sc2 1 0.79812887 0.59625874 0.05515385 1.0 Sc Sc3 1 0.09565560 0.54782780 0.25000000 1.0 Sc Sc4 1 0.45217220 0.54782780 0.25000000 1.0 Sc Sc5 1 0.45217220 0.90434540 0.25000000 1.0 Sc Sc6 1 0.40374026 0.20187013 0.44484615 1.0 Sc Sc7 1 0.79812987 0.20187013 0.44484615 1.0 Sc Sc8 1 0.79812887 0.59625874 0.44484615 1.0 Sc Sc9 1 0.20187013 0.40374126 0.55515485 1.0 Sc Sc10 1 0.20186913 0.79812987 0.55515485 1.0 Sc Sc11 1 0.59625974 0.79812987 0.55515485 1.0 Sc Sc12 1 0.54782680 0.09565460 0.75000100 1.0 Sc Sc13 1 0.54782780 0.45217220 0.75000100 1.0 Sc Sc14 1 0.90434540 0.45217220 0.75000100 1.0 Sc Sc15 1 0.20187013 0.40374126 0.94484515 1.0 Sc Sc16 1 0.20186913 0.79812987 0.94484515 1.0 Sc Sc17 1 0.59625974 0.79812987 0.94484515 1.0 Nb Nb18 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb19 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc20 1 0.11243389 0.22486678 0.25000000 1.0 Tc Tc21 1 0.11243289 0.88756611 0.25000000 1.0 Tc Tc22 1 0.77513422 0.88756611 0.25000000 1.0 Tc Tc23 1 0.22486678 0.11243389 0.75000100 1.0 Tc Tc24 1 0.88756611 0.11243389 0.75000100 1.0 Tc Tc25 1 0.88756511 0.77513322 0.75000100 1.0