# generated using pymatgen data_CeZrTcB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65291475 _cell_length_b 9.05927054 _cell_length_c 11.45295180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeZrTcB6 _chemical_formula_sum 'Ce4 Zr4 Tc4 B24' _cell_volume 379.00959016 _cell_formula_units_Z 4 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 0.32298216 0.41434583 1.0 Ce Ce1 1 0.00000000 0.67701784 0.58565417 1.0 Ce Ce2 1 0.00000000 0.82298216 0.08565417 1.0 Ce Ce3 1 0.00000000 0.17701784 0.91434583 1.0 Zr Zr4 1 0.00000000 0.94486586 0.37344229 1.0 Zr Zr5 1 0.00000000 0.05513414 0.62655771 1.0 Zr Zr6 1 0.00000000 0.44486586 0.12655771 1.0 Zr Zr7 1 0.00000000 0.55513414 0.87344229 1.0 Tc Tc8 1 0.00000000 0.64207322 0.31776425 1.0 Tc Tc9 1 0.00000000 0.35792678 0.68223575 1.0 Tc Tc10 1 0.00000000 0.14207322 0.18223575 1.0 Tc Tc11 1 0.00000000 0.85792678 0.81776425 1.0 B B12 1 0.50000000 0.55574461 0.43153523 1.0 B B13 1 0.50000000 0.44425539 0.56846477 1.0 B B14 1 0.50000000 0.05574461 0.06846477 1.0 B B15 1 0.50000000 0.94425539 0.93153523 1.0 B B16 1 0.50000000 0.75271404 0.41699122 1.0 B B17 1 0.50000000 0.24728596 0.58300878 1.0 B B18 1 0.50000000 0.25271404 0.08300878 1.0 B B19 1 0.50000000 0.74728596 0.91699122 1.0 B B20 1 0.50000000 0.79514758 0.26446937 1.0 B B21 1 0.50000000 0.20485242 0.73553063 1.0 B B22 1 0.50000000 0.29514758 0.23553063 1.0 B B23 1 0.50000000 0.70485242 0.76446937 1.0 B B24 1 0.50000000 0.63054809 0.18346075 1.0 B B25 1 0.50000000 0.36945191 0.81653925 1.0 B B26 1 0.50000000 0.13054809 0.31653925 1.0 B B27 1 0.50000000 0.86945191 0.68346075 1.0 B B28 1 0.50000000 0.98360289 0.21420600 1.0 B B29 1 0.50000000 0.01639711 0.78579400 1.0 B B30 1 0.50000000 0.48360289 0.28579400 1.0 B B31 1 0.50000000 0.51639711 0.71420600 1.0 B B32 1 0.50000000 0.60037357 0.02682324 1.0 B B33 1 0.50000000 0.39962643 0.97317676 1.0 B B34 1 0.50000000 0.10037357 0.47317676 1.0 B B35 1 0.50000000 0.89962643 0.52682324 1.0