# generated using pymatgen data_Ce2ReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73182504 _cell_length_b 9.45395728 _cell_length_c 11.55532659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2ReB6 _chemical_formula_sum 'Ce8 Re4 B24' _cell_volume 407.67786788 _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 0.33582185 0.40800166 1.0 Ce Ce1 1 0.00000000 0.66417815 0.59199834 1.0 Ce Ce2 1 0.00000000 0.83582185 0.09199834 1.0 Ce Ce3 1 0.00000000 0.16417815 0.90800166 1.0 Ce Ce4 1 0.00000000 0.95395620 0.38972732 1.0 Ce Ce5 1 0.00000000 0.04604380 0.61027268 1.0 Ce Ce6 1 0.00000000 0.45395620 0.11027268 1.0 Ce Ce7 1 0.00000000 0.54604380 0.88972732 1.0 Re Re8 1 0.00000000 0.64435881 0.32099118 1.0 Re Re9 1 0.00000000 0.35564119 0.67900882 1.0 Re Re10 1 0.00000000 0.14435881 0.17900882 1.0 Re Re11 1 0.00000000 0.85564119 0.82099118 1.0 B B12 1 0.50000000 0.55335660 0.42980284 1.0 B B13 1 0.50000000 0.44664340 0.57019716 1.0 B B14 1 0.50000000 0.05335660 0.07019716 1.0 B B15 1 0.50000000 0.94664340 0.92980284 1.0 B B16 1 0.50000000 0.74160101 0.42321033 1.0 B B17 1 0.50000000 0.25839899 0.57678967 1.0 B B18 1 0.50000000 0.24160101 0.07678967 1.0 B B19 1 0.50000000 0.75839899 0.92321033 1.0 B B20 1 0.50000000 0.79844953 0.27552959 1.0 B B21 1 0.50000000 0.20155047 0.72447041 1.0 B B22 1 0.50000000 0.29844953 0.22447041 1.0 B B23 1 0.50000000 0.70155047 0.77552959 1.0 B B24 1 0.50000000 0.64552639 0.19015453 1.0 B B25 1 0.50000000 0.35447361 0.80984547 1.0 B B26 1 0.50000000 0.14552639 0.30984547 1.0 B B27 1 0.50000000 0.85447361 0.69015453 1.0 B B28 1 0.50000000 0.99210381 0.21753206 1.0 B B29 1 0.50000000 0.00789619 0.78246794 1.0 B B30 1 0.50000000 0.49210381 0.28246794 1.0 B B31 1 0.50000000 0.50789619 0.71753206 1.0 B B32 1 0.50000000 0.64768740 0.04154690 1.0 B B33 1 0.50000000 0.35231260 0.95845310 1.0 B B34 1 0.50000000 0.14768740 0.45845310 1.0 B B35 1 0.50000000 0.85231260 0.54154690 1.0