# generated using pymatgen data_Sc24CuSi3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83426088 _cell_length_b 10.28343312 _cell_length_c 18.98509445 _cell_angle_alpha 89.89530596 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc24CuSi3Se8 _chemical_formula_sum 'Sc24 Cu1 Si3 Se8' _cell_volume 748.56897430 _cell_formula_units_Z 1 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 0.25000000 0.38903458 0.99477768 1.0 Sc Sc1 1 0.75000000 0.61353010 0.00599457 1.0 Sc Sc2 1 0.75000000 0.88552104 0.50592777 1.0 Sc Sc3 1 0.25000000 0.11261212 0.49314592 1.0 Sc Sc4 1 0.25000000 0.92412732 0.64579561 1.0 Sc Sc5 1 0.75000000 0.07386497 0.35413151 1.0 Sc Sc6 1 0.75000000 0.42592558 0.85721228 1.0 Sc Sc7 1 0.25000000 0.57511578 0.14417311 1.0 Sc Sc8 1 0.25000000 0.87628595 0.02716157 1.0 Sc Sc9 1 0.75000000 0.12365844 0.97343264 1.0 Sc Sc10 1 0.75000000 0.37308351 0.47168257 1.0 Sc Sc11 1 0.25000000 0.61954637 0.52598561 1.0 Sc Sc12 1 0.25000000 0.82781707 0.38896633 1.0 Sc Sc13 1 0.75000000 0.18031073 0.61000998 1.0 Sc Sc14 1 0.75000000 0.32891099 0.11052882 1.0 Sc Sc15 1 0.25000000 0.67164922 0.88926514 1.0 Sc Sc16 1 0.25000000 0.52820353 0.33962264 1.0 Sc Sc17 1 0.75000000 0.46877753 0.65946578 1.0 Sc Sc18 1 0.75000000 0.02803854 0.15893347 1.0 Sc Sc19 1 0.25000000 0.97196399 0.84103084 1.0 Sc Sc20 1 0.25000000 0.25209526 0.23084290 1.0 Sc Sc21 1 0.75000000 0.74915613 0.76896766 1.0 Sc Sc22 1 0.75000000 0.75183820 0.26854092 1.0 Sc Sc23 1 0.25000000 0.24859944 0.73465084 1.0 Cu Cu24 1 0.25000000 0.35615542 0.57815381 1.0 Si Si25 1 0.25000000 0.14204698 0.07895430 1.0 Si Si26 1 0.75000000 0.85867990 0.92135085 1.0 Si Si27 1 0.75000000 0.64201700 0.41992061 1.0 Se Se28 1 0.25000000 0.22744833 0.87821246 1.0 Se Se29 1 0.75000000 0.77265354 0.12356806 1.0 Se Se30 1 0.75000000 0.72887268 0.62481090 1.0 Se Se31 1 0.25000000 0.27121133 0.37478320 1.0 Se Se32 1 0.25000000 0.53223879 0.76422944 1.0 Se Se33 1 0.75000000 0.46760219 0.23582873 1.0 Se Se34 1 0.75000000 0.03427064 0.73718501 1.0 Se Se35 1 0.25000000 0.96713882 0.26275649 1.0