# generated using pymatgen data_Sc3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83119668 _cell_length_b 10.43635929 _cell_length_c 10.33871181 _cell_angle_alpha 89.99998295 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3As2 _chemical_formula_sum 'Sc12 As8' _cell_volume 413.38041729 _cell_formula_units_Z 4 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 0.75000000 0.95203368 0.86711045 1.0 Sc Sc1 1 0.25000000 0.04796632 0.13288955 1.0 Sc Sc2 1 0.75000000 0.45203080 0.63288481 1.0 Sc Sc3 1 0.25000000 0.54796920 0.36711519 1.0 Sc Sc4 1 0.75000000 0.62821029 0.93646901 1.0 Sc Sc5 1 0.25000000 0.37178971 0.06353099 1.0 Sc Sc6 1 0.75000000 0.12819326 0.56353360 1.0 Sc Sc7 1 0.25000000 0.87180674 0.43646640 1.0 Sc Sc8 1 0.75000000 0.77587595 0.20285710 1.0 Sc Sc9 1 0.25000000 0.22412405 0.79714290 1.0 Sc Sc10 1 0.75000000 0.27585232 0.29715602 1.0 Sc Sc11 1 0.25000000 0.72414768 0.70284398 1.0 As As12 1 0.75000000 0.68681664 0.50472526 1.0 As As13 1 0.25000000 0.31318336 0.49527474 1.0 As As14 1 0.75000000 0.18681352 0.99527209 1.0 As As15 1 0.25000000 0.81318648 0.00472791 1.0 As As16 1 0.75000000 0.51406990 0.17823150 1.0 As As17 1 0.25000000 0.48593010 0.82176850 1.0 As As18 1 0.75000000 0.01408049 0.32178035 1.0 As As19 1 0.25000000 0.98591951 0.67821965 1.0