# generated using pymatgen data_Sc6SiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82722541 _cell_length_b 12.54118263 _cell_length_c 15.62603225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6SiSe2 _chemical_formula_sum 'Sc24 Si4 Se8' _cell_volume 750.01724631 _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 0.00000000 0.02527545 0.10428868 1.0 Sc Sc1 1 0.00000000 0.97472455 0.89571132 1.0 Sc Sc2 1 0.50000000 0.47472455 0.60428868 1.0 Sc Sc3 1 0.50000000 0.52527545 0.39571132 1.0 Sc Sc4 1 0.00000000 0.40240768 0.24222762 1.0 Sc Sc5 1 0.00000000 0.59759232 0.75777238 1.0 Sc Sc6 1 0.50000000 0.09759232 0.74222762 1.0 Sc Sc7 1 0.50000000 0.90240768 0.25777238 1.0 Sc Sc8 1 0.00000000 0.08995397 0.57701066 1.0 Sc Sc9 1 0.00000000 0.91004603 0.42298934 1.0 Sc Sc10 1 0.50000000 0.41004603 0.07701066 1.0 Sc Sc11 1 0.50000000 0.58995397 0.92298934 1.0 Sc Sc12 1 0.00000000 0.33759328 0.48528982 1.0 Sc Sc13 1 0.00000000 0.66240672 0.51471018 1.0 Sc Sc14 1 0.50000000 0.16240672 0.98528982 1.0 Sc Sc15 1 0.50000000 0.83759328 0.01471018 1.0 Sc Sc16 1 0.00000000 0.68676296 0.29619715 1.0 Sc Sc17 1 0.00000000 0.31323704 0.70380285 1.0 Sc Sc18 1 0.50000000 0.81323704 0.79619715 1.0 Sc Sc19 1 0.50000000 0.18676296 0.20380285 1.0 Sc Sc20 1 0.00000000 0.61553130 0.07922597 1.0 Sc Sc21 1 0.00000000 0.38446870 0.92077403 1.0 Sc Sc22 1 0.50000000 0.88446870 0.57922597 1.0 Sc Sc23 1 0.50000000 0.11553130 0.42077403 1.0 Si Si24 1 0.00000000 0.25607011 0.09477664 1.0 Si Si25 1 0.00000000 0.74392989 0.90522336 1.0 Si Si26 1 0.50000000 0.24392989 0.59477664 1.0 Si Si27 1 0.50000000 0.75607011 0.40522336 1.0 Se Se28 1 0.00000000 0.05647322 0.28909486 1.0 Se Se29 1 0.00000000 0.94352678 0.71090514 1.0 Se Se30 1 0.50000000 0.44352678 0.78909486 1.0 Se Se31 1 0.50000000 0.55647322 0.21090514 1.0 Se Se32 1 0.00000000 0.81303946 0.15162612 1.0 Se Se33 1 0.00000000 0.18696054 0.84837388 1.0 Se Se34 1 0.50000000 0.68696054 0.65162612 1.0 Se Se35 1 0.50000000 0.31303946 0.34837388 1.0