# generated using pymatgen data_Nd2Sc3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21844542 _cell_length_b 7.53669683 _cell_length_c 14.20702053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Sc3Si4 _chemical_formula_sum 'Nd8 Sc12 Si16' _cell_volume 772.90787242 _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 Nd Nd0 1 0.01190336 0.17311770 0.09776737 1.0 Nd Nd1 1 0.98809664 0.82688230 0.90223263 1.0 Nd Nd2 1 0.48809664 0.67311770 0.90223263 1.0 Nd Nd3 1 0.98809664 0.82688230 0.59776737 1.0 Nd Nd4 1 0.51190336 0.32688230 0.09776737 1.0 Nd Nd5 1 0.01190336 0.17311770 0.40223263 1.0 Nd Nd6 1 0.51190336 0.32688230 0.40223263 1.0 Nd Nd7 1 0.48809664 0.67311770 0.59776737 1.0 Sc Sc8 1 0.16154854 0.50019839 0.75000000 1.0 Sc Sc9 1 0.83845146 0.49980161 0.25000000 1.0 Sc Sc10 1 0.33845146 0.00019839 0.25000000 1.0 Sc Sc11 1 0.66154854 0.99980161 0.75000000 1.0 Sc Sc12 1 0.32945432 0.17632047 0.62532747 1.0 Sc Sc13 1 0.67054568 0.82367953 0.37467253 1.0 Sc Sc14 1 0.17054568 0.67632047 0.37467253 1.0 Sc Sc15 1 0.67054568 0.82367953 0.12532747 1.0 Sc Sc16 1 0.82945432 0.32367953 0.62532747 1.0 Sc Sc17 1 0.32945432 0.17632047 0.87467253 1.0 Sc Sc18 1 0.82945432 0.32367953 0.87467253 1.0 Sc Sc19 1 0.17054568 0.67632047 0.12532747 1.0 Si Si20 1 0.03458352 0.12329170 0.75000000 1.0 Si Si21 1 0.96541648 0.87670830 0.25000000 1.0 Si Si22 1 0.46541648 0.62329170 0.25000000 1.0 Si Si23 1 0.53458352 0.37670830 0.75000000 1.0 Si Si24 1 0.28705052 0.88158272 0.75000000 1.0 Si Si25 1 0.71294948 0.11841728 0.25000000 1.0 Si Si26 1 0.21294948 0.38158272 0.25000000 1.0 Si Si27 1 0.78705052 0.61841728 0.75000000 1.0 Si Si28 1 0.15238213 0.46357895 0.53929785 1.0 Si Si29 1 0.84761787 0.53642105 0.46070215 1.0 Si Si30 1 0.34761787 0.96357895 0.46070215 1.0 Si Si31 1 0.84761787 0.53642105 0.03929785 1.0 Si Si32 1 0.65238213 0.03642105 0.53929785 1.0 Si Si33 1 0.15238213 0.46357895 0.96070215 1.0 Si Si34 1 0.65238213 0.03642105 0.96070215 1.0 Si Si35 1 0.34761787 0.96357895 0.03929785 1.0