# generated using pymatgen data_Nd4Cu3Si2Pd25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81367958 _cell_length_b 8.81367958 _cell_length_c 7.08527962 _cell_angle_alpha 90.16228225 _cell_angle_beta 90.16228225 _cell_angle_gamma 90.76411369 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Cu3Si2Pd25 _chemical_formula_sum 'Nd4 Cu3 Si2 Pd25' _cell_volume 550.33781699 _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 Nd Nd0 1 0.50325433 0.00325433 0.93135338 1.0 Nd Nd1 1 0.99674567 0.49674567 0.06864662 1.0 Nd Nd2 1 0.00171350 0.99828650 0.50000000 1.0 Nd Nd3 1 0.49828650 0.50171350 0.50000000 1.0 Cu Cu4 1 0.25000000 0.75000000 0.00000000 1.0 Cu Cu5 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu6 1 0.75000000 0.75000000 0.00000000 1.0 Si Si7 1 0.50042396 0.00042396 0.44373364 1.0 Si Si8 1 0.99957604 0.49957604 0.55626636 1.0 Pd Pd9 1 0.33342446 0.83342446 0.61786895 1.0 Pd Pd10 1 0.33377857 0.16487672 0.61293704 1.0 Pd Pd11 1 0.66487672 0.83377857 0.61293704 1.0 Pd Pd12 1 0.66722244 0.16722244 0.61789827 1.0 Pd Pd13 1 0.16657554 0.66657554 0.38213105 1.0 Pd Pd14 1 0.16622143 0.33512328 0.38706296 1.0 Pd Pd15 1 0.83512328 0.66622143 0.38706296 1.0 Pd Pd16 1 0.83277756 0.33277756 0.38210173 1.0 Pd Pd17 1 0.49679972 0.76945654 0.25178175 1.0 Pd Pd18 1 0.49801071 0.23206539 0.25348952 1.0 Pd Pd19 1 0.26945654 0.99679972 0.25178175 1.0 Pd Pd20 1 0.73206539 0.99801071 0.25348952 1.0 Pd Pd21 1 0.00320028 0.73054346 0.74821825 1.0 Pd Pd22 1 0.00198929 0.26793461 0.74651048 1.0 Pd Pd23 1 0.23054346 0.50320028 0.74821825 1.0 Pd Pd24 1 0.76793461 0.50198929 0.74651048 1.0 Pd Pd25 1 0.49303995 0.34695945 0.86048503 1.0 Pd Pd26 1 0.49951657 0.66181260 0.86643959 1.0 Pd Pd27 1 0.84695945 0.99303995 0.86048503 1.0 Pd Pd28 1 0.16181260 0.99951657 0.86643959 1.0 Pd Pd29 1 0.00696005 0.15304055 0.13951497 1.0 Pd Pd30 1 0.00048343 0.83818740 0.13356041 1.0 Pd Pd31 1 0.65304055 0.50696005 0.13951497 1.0 Pd Pd32 1 0.33818740 0.50048343 0.13356041 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0