# generated using pymatgen data_Nd4SiPPd28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89504448 _cell_length_b 8.89504448 _cell_length_c 7.09716707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4SiPPd28 _chemical_formula_sum 'Nd4 Si1 P1 Pd28' _cell_volume 561.54074936 _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 0.50000000 0.00000000 0.93478879 1.0 Nd Nd1 1 0.00000000 0.50000000 0.06611173 1.0 Nd Nd2 1 0.00000000 0.00000000 0.50037424 1.0 Nd Nd3 1 0.50000000 0.50000000 0.50037424 1.0 Si Si4 1 0.00000000 0.50000000 0.55133970 1.0 P P5 1 0.50000000 0.00000000 0.44791477 1.0 Pd Pd6 1 0.33634742 0.83634742 0.61324714 1.0 Pd Pd7 1 0.33634742 0.16365258 0.61324714 1.0 Pd Pd8 1 0.66365258 0.83634742 0.61324714 1.0 Pd Pd9 1 0.66365258 0.16365258 0.61324714 1.0 Pd Pd10 1 0.16602144 0.66602144 0.38544048 1.0 Pd Pd11 1 0.16602144 0.33397856 0.38544048 1.0 Pd Pd12 1 0.83397856 0.66602144 0.38544048 1.0 Pd Pd13 1 0.83397856 0.33397856 0.38544048 1.0 Pd Pd14 1 0.50000000 0.77207664 0.25855679 1.0 Pd Pd15 1 0.50000000 0.22792336 0.25855679 1.0 Pd Pd16 1 0.27207664 0.00000000 0.25855679 1.0 Pd Pd17 1 0.72792336 0.00000000 0.25855679 1.0 Pd Pd18 1 0.00000000 0.72929659 0.74229957 1.0 Pd Pd19 1 0.00000000 0.27070341 0.74229957 1.0 Pd Pd20 1 0.22929659 0.50000000 0.74229957 1.0 Pd Pd21 1 0.77070341 0.50000000 0.74229957 1.0 Pd Pd22 1 0.50000000 0.34714193 0.85669403 1.0 Pd Pd23 1 0.50000000 0.65285807 0.85669403 1.0 Pd Pd24 1 0.84714193 0.00000000 0.85669403 1.0 Pd Pd25 1 0.15285807 0.00000000 0.85669403 1.0 Pd Pd26 1 0.00000000 0.15122269 0.14391159 1.0 Pd Pd27 1 0.00000000 0.84877731 0.14391159 1.0 Pd Pd28 1 0.65122269 0.50000000 0.14391159 1.0 Pd Pd29 1 0.34877731 0.50000000 0.14391159 1.0 Pd Pd30 1 0.24914844 0.74914844 0.99962404 1.0 Pd Pd31 1 0.24914844 0.25085156 0.99962404 1.0 Pd Pd32 1 0.75085156 0.74914844 0.99962404 1.0 Pd Pd33 1 0.75085156 0.25085156 0.99962404 1.0