# generated using pymatgen data_Nd3Sn5Pd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48937393 _cell_length_b 9.68467878 _cell_length_c 13.92269667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Sn5Pd6 _chemical_formula_sum 'Nd6 Sn10 Pd12' _cell_volume 605.33301603 _cell_formula_units_Z 2 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 0.00000000 0.22873082 0.00000000 1.0 Nd Nd1 1 0.50000000 0.77126918 0.50000000 1.0 Nd Nd2 1 0.00000000 0.24613313 0.32274991 1.0 Nd Nd3 1 0.50000000 0.75386687 0.17725009 1.0 Nd Nd4 1 0.00000000 0.24613313 0.67725009 1.0 Nd Nd5 1 0.50000000 0.75386687 0.82274991 1.0 Sn Sn6 1 0.00000000 0.52087765 0.11744369 1.0 Sn Sn7 1 0.50000000 0.47912235 0.38255631 1.0 Sn Sn8 1 0.00000000 0.52087765 0.88255631 1.0 Sn Sn9 1 0.50000000 0.47912235 0.61744369 1.0 Sn Sn10 1 0.00000000 0.87127124 0.32818160 1.0 Sn Sn11 1 0.50000000 0.12872876 0.17181840 1.0 Sn Sn12 1 0.00000000 0.87127124 0.67181840 1.0 Sn Sn13 1 0.50000000 0.12872876 0.82818160 1.0 Sn Sn14 1 0.00000000 0.80447154 0.00000000 1.0 Sn Sn15 1 0.50000000 0.19552846 0.50000000 1.0 Pd Pd16 1 0.00000000 0.99166849 0.14548707 1.0 Pd Pd17 1 0.50000000 0.00833151 0.35451293 1.0 Pd Pd18 1 0.00000000 0.99166849 0.85451293 1.0 Pd Pd19 1 0.50000000 0.00833151 0.64548707 1.0 Pd Pd20 1 0.50000000 0.98104352 0.00000000 1.0 Pd Pd21 1 0.00000000 0.01895648 0.50000000 1.0 Pd Pd22 1 0.00000000 0.59458681 0.30595753 1.0 Pd Pd23 1 0.50000000 0.40541319 0.19404247 1.0 Pd Pd24 1 0.00000000 0.59458681 0.69404247 1.0 Pd Pd25 1 0.50000000 0.40541319 0.80595753 1.0 Pd Pd26 1 0.50000000 0.48953411 0.00000000 1.0 Pd Pd27 1 0.00000000 0.51046589 0.50000000 1.0