# generated using pymatgen data_Ce4TiTc3B16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67590286 _cell_length_b 6.01124663 _cell_length_c 11.63754582 _cell_angle_alpha 89.83532496 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4TiTc3B16 _chemical_formula_sum 'Ce4 Ti1 Tc3 B16' _cell_volume 257.15097989 _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 0.37434830 0.15352701 1.0 Ce Ce1 1 0.50000000 0.62458897 0.84665591 1.0 Ce Ce2 1 0.50000000 0.12598465 0.64831712 1.0 Ce Ce3 1 0.50000000 0.87434303 0.35138450 1.0 Ti Ti4 1 0.50000000 0.87060601 0.08470880 1.0 Tc Tc5 1 0.50000000 0.36328017 0.41133012 1.0 Tc Tc6 1 0.50000000 0.63792742 0.59162363 1.0 Tc Tc7 1 0.50000000 0.12745205 0.91365307 1.0 B B8 1 0.00000000 0.11468922 0.04446733 1.0 B B9 1 0.00000000 0.88918762 0.95224610 1.0 B B10 1 0.00000000 0.38820875 0.54591699 1.0 B B11 1 0.00000000 0.61169969 0.45437119 1.0 B B12 1 0.00000000 0.13919165 0.46814327 1.0 B B13 1 0.00000000 0.86131359 0.53177543 1.0 B B14 1 0.00000000 0.36189019 0.96688644 1.0 B B15 1 0.00000000 0.63497426 0.03090641 1.0 B B16 1 0.00000000 0.02635706 0.19151495 1.0 B B17 1 0.00000000 0.97765854 0.80929941 1.0 B B18 1 0.00000000 0.47429519 0.69005414 1.0 B B19 1 0.00000000 0.52463847 0.31020812 1.0 B B20 1 0.00000000 0.21693414 0.31558200 1.0 B B21 1 0.00000000 0.78468914 0.68452564 1.0 B B22 1 0.00000000 0.28303513 0.81620275 1.0 B B23 1 0.00000000 0.71270778 0.18670268 1.0