# generated using pymatgen data_Ce33Fe13(B9C17)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.26964917 _cell_length_b 12.26964917 _cell_length_c 12.26964917 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce33Fe13(B9C17)2 _chemical_formula_sum 'Ce33 Fe13 B18 C34' _cell_volume 1421.91797387 _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 Ce Ce0 1 0.56584143 0.82147627 -0.00000000 1.0 Ce Ce1 1 0.74436516 0.17852373 0.17852373 1.0 Ce Ce2 1 0.56584143 -0.00000000 0.82147627 1.0 Ce Ce3 1 0.82147627 0.56584143 0.00000000 1.0 Ce Ce4 1 0.00000000 0.56584143 0.82147627 1.0 Ce Ce5 1 0.17852373 0.74436516 0.17852373 1.0 Ce Ce6 1 0.17852373 0.17852373 0.74436516 1.0 Ce Ce7 1 -0.00000000 0.82147627 0.56584143 1.0 Ce Ce8 1 0.82147627 -0.00000000 0.56584143 1.0 Ce Ce9 1 0.43415857 0.43415857 0.25563484 1.0 Ce Ce10 1 0.25563484 0.43415857 0.43415857 1.0 Ce Ce11 1 0.43415857 0.25563484 0.43415857 1.0 Ce Ce12 1 0.43415857 0.17852373 -0.00000000 1.0 Ce Ce13 1 0.25563484 0.82147627 0.82147627 1.0 Ce Ce14 1 0.43415857 -0.00000000 0.17852373 1.0 Ce Ce15 1 0.17852373 0.43415857 0.00000000 1.0 Ce Ce16 1 0.00000000 0.43415857 0.17852373 1.0 Ce Ce17 1 0.82147627 0.25563484 0.82147627 1.0 Ce Ce18 1 0.82147627 0.82147627 0.25563484 1.0 Ce Ce19 1 0.00000000 0.17852373 0.43415857 1.0 Ce Ce20 1 0.17852373 0.00000000 0.43415857 1.0 Ce Ce21 1 0.56584143 0.56584143 0.74436516 1.0 Ce Ce22 1 0.74436516 0.56584143 0.56584143 1.0 Ce Ce23 1 0.56584143 0.74436516 0.56584143 1.0 Ce Ce24 1 0.50000000 0.75000000 0.25000000 1.0 Ce Ce25 1 0.75000000 0.50000000 0.25000000 1.0 Ce Ce26 1 0.25000000 0.75000000 0.50000000 1.0 Ce Ce27 1 0.25000000 0.50000000 0.75000000 1.0 Ce Ce28 1 0.50000000 0.25000000 0.75000000 1.0 Ce Ce29 1 0.75000000 0.25000000 0.50000000 1.0 Ce Ce30 1 -0.00000000 0.50000000 0.50000000 1.0 Ce Ce31 1 0.50000000 -0.00000000 0.50000000 1.0 Ce Ce32 1 0.50000000 0.50000000 -0.00000000 1.0 Fe Fe33 1 0.87272832 -0.00000000 0.12727168 1.0 Fe Fe34 1 0.87272832 0.12727168 -0.00000000 1.0 Fe Fe35 1 0.74545664 0.87272832 0.87272832 1.0 Fe Fe36 1 0.87272832 0.74545664 0.87272832 1.0 Fe Fe37 1 0.12727168 0.87272832 -0.00000000 1.0 Fe Fe38 1 -0.00000000 0.87272832 0.12727168 1.0 Fe Fe39 1 0.12727168 -0.00000000 0.87272832 1.0 Fe Fe40 1 0.87272832 0.87272832 0.74545664 1.0 Fe Fe41 1 0.00000000 0.12727168 0.87272832 1.0 Fe Fe42 1 0.12727168 0.25454336 0.12727168 1.0 Fe Fe43 1 0.12727168 0.12727168 0.25454336 1.0 Fe Fe44 1 0.25454336 0.12727168 0.12727168 1.0 Fe Fe45 1 -0.00000000 -0.00000000 -0.00000000 1.0 B B46 1 0.40550528 0.70275264 0.70275264 1.0 B B47 1 0.70275264 0.00000000 0.29724736 1.0 B B48 1 0.70275264 0.29724736 0.00000000 1.0 B B49 1 -0.00000000 0.70275264 0.29724736 1.0 B B50 1 0.70275264 0.40550528 0.70275264 1.0 B B51 1 0.29724736 0.70275264 -0.00000000 1.0 B B52 1 0.00000000 0.29724736 0.70275264 1.0 B B53 1 0.29724736 -0.00000000 0.70275264 1.0 B B54 1 0.70275264 0.70275264 0.40550528 1.0 B B55 1 0.59449472 0.29724736 0.29724736 1.0 B B56 1 0.29724736 0.59449472 0.29724736 1.0 B B57 1 0.29724736 0.29724736 0.59449472 1.0 B B58 1 0.00000000 0.21654901 0.21654901 1.0 B B59 1 0.78345099 -0.00000000 0.78345099 1.0 B B60 1 0.78345099 0.78345099 -0.00000000 1.0 B B61 1 -0.00000000 0.78345099 0.78345099 1.0 B B62 1 0.21654901 0.00000000 0.21654901 1.0 B B63 1 0.21654901 0.21654901 0.00000000 1.0 C C64 1 0.55183054 0.77591527 0.77591527 1.0 C C65 1 0.77591527 -0.00000000 0.22408473 1.0 C C66 1 0.77591527 0.22408473 0.00000000 1.0 C C67 1 0.00000000 0.77591527 0.22408473 1.0 C C68 1 0.77591527 0.55183054 0.77591527 1.0 C C69 1 0.22408473 0.77591527 0.00000000 1.0 C C70 1 -0.00000000 0.22408473 0.77591527 1.0 C C71 1 0.22408473 -0.00000000 0.77591527 1.0 C C72 1 0.77591527 0.77591527 0.55183054 1.0 C C73 1 0.44816946 0.22408473 0.22408473 1.0 C C74 1 0.22408473 0.44816946 0.22408473 1.0 C C75 1 0.22408473 0.22408473 0.44816946 1.0 C C76 1 0.25682403 0.62841201 0.62841201 1.0 C C77 1 0.62841201 0.00000000 0.37158799 1.0 C C78 1 0.62841201 0.37158799 0.00000000 1.0 C C79 1 0.00000000 0.62841201 0.37158799 1.0 C C80 1 0.62841201 0.25682403 0.62841201 1.0 C C81 1 0.37158799 0.62841201 0.00000000 1.0 C C82 1 -0.00000000 0.37158799 0.62841201 1.0 C C83 1 0.37158799 -0.00000000 0.62841201 1.0 C C84 1 0.62841201 0.62841201 0.25682403 1.0 C C85 1 0.74317597 0.37158799 0.37158799 1.0 C C86 1 0.37158799 0.74317597 0.37158799 1.0 C C87 1 0.37158799 0.37158799 0.74317597 1.0 C C88 1 -0.00000000 0.32554584 0.32554584 1.0 C C89 1 0.67445416 0.00000000 0.67445416 1.0 C C90 1 0.67445416 0.67445416 0.00000000 1.0 C C91 1 0.00000000 0.67445416 0.67445416 1.0 C C92 1 0.32554584 -0.00000000 0.32554584 1.0 C C93 1 0.32554584 0.32554584 -0.00000000 1.0 C C94 1 0.50000000 0.00000000 -0.00000000 1.0 C C95 1 -0.00000000 0.50000000 -0.00000000 1.0 C C96 1 -0.00000000 0.00000000 0.50000000 1.0 C C97 1 0.50000000 0.50000000 0.50000000 1.0