# generated using pymatgen data_Ce2Sc3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21650956 _cell_length_b 7.52695716 _cell_length_c 14.24072653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Sc3Si4 _chemical_formula_sum 'Ce8 Sc12 Si16' _cell_volume 773.53288615 _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 Ce Ce0 1 0.98708208 0.17355708 0.09686532 1.0 Ce Ce1 1 0.48708208 0.32644292 0.40313468 1.0 Ce Ce2 1 0.51291792 0.67355708 0.90313468 1.0 Ce Ce3 1 0.01291792 0.82644292 0.59686532 1.0 Ce Ce4 1 0.01291792 0.82644292 0.90313468 1.0 Ce Ce5 1 0.51291792 0.67355708 0.59686532 1.0 Ce Ce6 1 0.48708208 0.32644292 0.09686532 1.0 Ce Ce7 1 0.98708208 0.17355708 0.40313468 1.0 Sc Sc8 1 0.65909786 0.00501090 0.25000000 1.0 Sc Sc9 1 0.15909786 0.49498910 0.25000000 1.0 Sc Sc10 1 0.84090214 0.50501090 0.75000000 1.0 Sc Sc11 1 0.34090214 0.99498910 0.75000000 1.0 Sc Sc12 1 0.82785785 0.67612268 0.12465310 1.0 Sc Sc13 1 0.32785785 0.82387732 0.37534690 1.0 Sc Sc14 1 0.67214215 0.17612268 0.87534690 1.0 Sc Sc15 1 0.17214215 0.32387732 0.62465310 1.0 Sc Sc16 1 0.17214215 0.32387732 0.87534690 1.0 Sc Sc17 1 0.67214215 0.17612268 0.62465310 1.0 Sc Sc18 1 0.32785785 0.82387732 0.12465310 1.0 Sc Sc19 1 0.82785785 0.67612268 0.37534690 1.0 Si Si20 1 0.78398346 0.38298853 0.25000000 1.0 Si Si21 1 0.28398346 0.11701147 0.25000000 1.0 Si Si22 1 0.71601654 0.88298853 0.75000000 1.0 Si Si23 1 0.21601654 0.61701147 0.75000000 1.0 Si Si24 1 0.03332342 0.87954191 0.25000000 1.0 Si Si25 1 0.53332342 0.62045809 0.25000000 1.0 Si Si26 1 0.46667658 0.37954191 0.75000000 1.0 Si Si27 1 0.96667658 0.12045809 0.75000000 1.0 Si Si28 1 0.84991707 0.46498300 0.96096694 1.0 Si Si29 1 0.34991707 0.03501700 0.53903306 1.0 Si Si30 1 0.65008293 0.96498300 0.03903306 1.0 Si Si31 1 0.15008293 0.53501700 0.46096694 1.0 Si Si32 1 0.15008293 0.53501700 0.03903306 1.0 Si Si33 1 0.65008293 0.96498300 0.46096694 1.0 Si Si34 1 0.34991707 0.03501700 0.96096694 1.0 Si Si35 1 0.84991707 0.46498300 0.53903306 1.0