# generated using pymatgen data_Sc5TcAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89265503 _cell_length_b 7.75900918 _cell_length_c 7.95656600 _cell_angle_alpha 119.18199827 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5TcAs2 _chemical_formula_sum 'Sc10 Tc2 As4' _cell_volume 317.61036118 _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 0.00000000 0.66100528 0.32200855 1.0 Sc Sc1 1 0.00000000 0.33899472 0.67799145 1.0 Sc Sc2 1 0.50000000 0.33899472 0.67799145 1.0 Sc Sc3 1 0.50000000 0.66100528 0.32200855 1.0 Sc Sc4 1 0.75000000 0.74111067 0.76520151 1.0 Sc Sc5 1 0.25000000 0.25888933 0.23479849 1.0 Sc Sc6 1 0.75000000 0.97591016 0.23479849 1.0 Sc Sc7 1 0.25000000 0.02408984 0.76520151 1.0 Sc Sc8 1 0.75000000 0.25068097 0.00000000 1.0 Sc Sc9 1 0.25000000 0.74931903 1.00000000 1.0 Tc Tc10 1 0.75000000 0.59242412 0.00000000 1.0 Tc Tc11 1 0.25000000 0.40757588 1.00000000 1.0 As As12 1 0.75000000 0.37852690 0.38841308 1.0 As As13 1 0.25000000 0.62147310 0.61158692 1.0 As As14 1 0.75000000 0.99011482 0.61158692 1.0 As As15 1 0.25000000 0.00988518 0.38841308 1.0