# generated using pymatgen data_Ce4FeTc3B16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65312464 _cell_length_b 5.98591550 _cell_length_c 11.58251405 _cell_angle_alpha 89.88599450 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4FeTc3B16 _chemical_formula_sum 'Ce4 Fe1 Tc3 B16' _cell_volume 253.27775502 _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 0.50000000 0.37309909 0.14995787 1.0 Ce Ce1 1 0.50000000 0.62661416 0.85041172 1.0 Ce Ce2 1 0.50000000 0.12671128 0.65043650 1.0 Ce Ce3 1 0.50000000 0.87380207 0.34961223 1.0 Fe Fe4 1 0.50000000 0.86576696 0.08983901 1.0 Tc Tc5 1 0.50000000 0.36304262 0.40869271 1.0 Tc Tc6 1 0.50000000 0.63675586 0.59105369 1.0 Tc Tc7 1 0.50000000 0.12804837 0.91464160 1.0 B B8 1 0.00000000 0.11325935 0.04528921 1.0 B B9 1 0.00000000 0.88930602 0.95319396 1.0 B B10 1 0.00000000 0.38835529 0.54562199 1.0 B B11 1 0.00000000 0.61171891 0.45367770 1.0 B B12 1 0.00000000 0.13858050 0.46796543 1.0 B B13 1 0.00000000 0.86141528 0.53130976 1.0 B B14 1 0.00000000 0.36232200 0.96840681 1.0 B B15 1 0.00000000 0.64000667 0.03264889 1.0 B B16 1 0.00000000 0.02226222 0.18958113 1.0 B B17 1 0.00000000 0.97664236 0.80985906 1.0 B B18 1 0.00000000 0.47464782 0.69045598 1.0 B B19 1 0.00000000 0.52621259 0.30873101 1.0 B B20 1 0.00000000 0.21549573 0.31431593 1.0 B B21 1 0.00000000 0.78413006 0.68503739 1.0 B B22 1 0.00000000 0.28311836 0.81669541 1.0 B B23 1 0.00000000 0.71868541 0.18256502 1.0