# generated using pymatgen data_Nd(ScSi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11913300 _cell_length_b 7.34392700 _cell_length_c 13.93991200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(ScSi)4 _chemical_formula_sum 'Nd4 Sc16 Si16' _cell_volume 728.81195834 _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 0.23755400 0.67446400 0.15713300 1.0 Nd Nd1 1 0.73755400 0.82553600 0.84286700 1.0 Nd Nd2 1 0.26244600 0.32553600 0.65713300 1.0 Nd Nd3 1 0.76244600 0.17446400 0.34286700 1.0 Sc Sc4 1 0.92337200 0.67376400 0.62299300 1.0 Sc Sc5 1 0.42337200 0.82623600 0.37700700 1.0 Sc Sc6 1 0.57662800 0.32623600 0.12299300 1.0 Sc Sc7 1 0.07662800 0.17376400 0.87700700 1.0 Sc Sc8 1 0.58025500 0.32107100 0.87385400 1.0 Sc Sc9 1 0.08025500 0.17892900 0.12614600 1.0 Sc Sc10 1 0.91974500 0.67892900 0.37385400 1.0 Sc Sc11 1 0.41974500 0.82107100 0.62614600 1.0 Sc Sc12 1 0.09084800 0.00362300 0.50103400 1.0 Sc Sc13 1 0.59084800 0.49637700 0.49896600 1.0 Sc Sc14 1 0.40915200 0.99637700 0.00103400 1.0 Sc Sc15 1 0.90915200 0.50362300 0.99896600 1.0 Sc Sc16 1 0.27032800 0.31930800 0.35404700 1.0 Sc Sc17 1 0.77032800 0.18069200 0.64595300 1.0 Sc Sc18 1 0.22967200 0.68069200 0.85404700 1.0 Sc Sc19 1 0.72967200 0.81930800 0.14595300 1.0 Si Si20 1 0.08791900 0.96004800 0.71202600 1.0 Si Si21 1 0.58791900 0.53995200 0.28797400 1.0 Si Si22 1 0.41208100 0.03995200 0.21202600 1.0 Si Si23 1 0.91208100 0.46004800 0.78797400 1.0 Si Si24 1 0.39298700 0.02374900 0.79358600 1.0 Si Si25 1 0.89298700 0.47625100 0.20641400 1.0 Si Si26 1 0.10701300 0.97625100 0.29358600 1.0 Si Si27 1 0.60701300 0.52374900 0.70641400 1.0 Si Si28 1 0.96763200 0.37322500 0.49841300 1.0 Si Si29 1 0.46763200 0.12677500 0.50158700 1.0 Si Si30 1 0.53236800 0.62677500 0.99841300 1.0 Si Si31 1 0.03236800 0.87322500 0.00158700 1.0 Si Si32 1 0.21883200 0.61463000 0.49774500 1.0 Si Si33 1 0.71883200 0.88537000 0.50225500 1.0 Si Si34 1 0.28116800 0.38537000 0.99774500 1.0 Si Si35 1 0.78116800 0.11463000 0.00225500 1.0