# generated using pymatgen data_Ce3Sb5Pd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46572521 _cell_length_b 10.16407333 _cell_length_c 13.55201053 _cell_angle_alpha 89.99591600 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Sb5Pd6 _chemical_formula_sum 'Ce6 Sb10 Pd12' _cell_volume 615.12519379 _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 Ce Ce0 1 -0.00000000 0.24733196 0.32791850 1.0 Ce Ce1 1 0.50000000 0.75272228 0.82788528 1.0 Ce Ce2 1 0.50000000 0.75266609 0.17210526 1.0 Ce Ce3 1 0.00000000 0.24180235 -0.00007193 1.0 Ce Ce4 1 0.50000000 0.75820623 0.50011081 1.0 Ce Ce5 1 -0.00000000 0.24729833 0.67205799 1.0 Sb Sb6 1 -0.00000000 0.52072529 0.12794879 1.0 Sb Sb7 1 -0.00000000 0.86391537 0.33470322 1.0 Sb Sb8 1 0.00000000 0.83233842 0.00003460 1.0 Sb Sb9 1 0.50000000 0.47927361 0.37206874 1.0 Sb Sb10 1 0.50000000 0.16767720 0.50002122 1.0 Sb Sb11 1 -0.00000000 0.52072718 0.87198934 1.0 Sb Sb12 1 0.50000000 0.47933719 0.62795157 1.0 Sb Sb13 1 -0.00000000 0.86389396 0.66542277 1.0 Sb Sb14 1 0.50000000 0.13612153 0.16527804 1.0 Sb Sb15 1 0.50000000 0.13606439 0.83463447 1.0 Pd Pd16 1 -0.00000000 0.99214633 0.15941419 1.0 Pd Pd17 1 0.50000000 0.00804832 0.34059956 1.0 Pd Pd18 1 0.50000000 0.39308716 0.18198873 1.0 Pd Pd19 1 0.50000000 0.51718854 -0.00007222 1.0 Pd Pd20 1 0.00000000 0.48268138 0.50003474 1.0 Pd Pd21 1 0.00000000 0.60692772 0.31812898 1.0 Pd Pd22 1 -0.00000000 0.60700542 0.68184206 1.0 Pd Pd23 1 0.50000000 0.98643781 -0.00006905 1.0 Pd Pd24 1 0.00000000 0.99193034 0.84058085 1.0 Pd Pd25 1 0.50000000 0.39297515 0.81797409 1.0 Pd Pd26 1 0.00000000 0.01352216 0.50010786 1.0 Pd Pd27 1 0.50000000 0.00794829 0.65941355 1.0