# generated using pymatgen data_CeNbReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59554731 _cell_length_b 9.00291095 _cell_length_c 11.36679400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNbReB6 _chemical_formula_sum 'Ce4 Nb4 Re4 B24' _cell_volume 367.94758047 _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 0.32299452 0.41362371 1.0 Ce Ce1 1 0.00000000 0.67700548 0.58637629 1.0 Ce Ce2 1 0.00000000 0.82299452 0.08637629 1.0 Ce Ce3 1 0.00000000 0.17700548 0.91362371 1.0 Nb Nb4 1 0.00000000 0.94693268 0.37609872 1.0 Nb Nb5 1 0.00000000 0.05306732 0.62390128 1.0 Nb Nb6 1 0.00000000 0.44693268 0.12390128 1.0 Nb Nb7 1 0.00000000 0.55306732 0.87609872 1.0 Re Re8 1 0.00000000 0.64478782 0.31713370 1.0 Re Re9 1 0.00000000 0.35521218 0.68286630 1.0 Re Re10 1 0.00000000 0.14478782 0.18286630 1.0 Re Re11 1 0.00000000 0.85521218 0.81713370 1.0 B B12 1 0.50000000 0.55555312 0.43254322 1.0 B B13 1 0.50000000 0.44444688 0.56745678 1.0 B B14 1 0.50000000 0.05555312 0.06745678 1.0 B B15 1 0.50000000 0.94444688 0.93254322 1.0 B B16 1 0.50000000 0.75517491 0.41774186 1.0 B B17 1 0.50000000 0.24482509 0.58225814 1.0 B B18 1 0.50000000 0.25517491 0.08225814 1.0 B B19 1 0.50000000 0.74482509 0.91774186 1.0 B B20 1 0.50000000 0.79778656 0.26357711 1.0 B B21 1 0.50000000 0.20221344 0.73642289 1.0 B B22 1 0.50000000 0.29778656 0.23642289 1.0 B B23 1 0.50000000 0.70221344 0.76357711 1.0 B B24 1 0.50000000 0.62996973 0.18158870 1.0 B B25 1 0.50000000 0.37003027 0.81841130 1.0 B B26 1 0.50000000 0.12996973 0.31841130 1.0 B B27 1 0.50000000 0.87003027 0.68158870 1.0 B B28 1 0.50000000 0.98275773 0.21452510 1.0 B B29 1 0.50000000 0.01724227 0.78547490 1.0 B B30 1 0.50000000 0.48275773 0.28547490 1.0 B B31 1 0.50000000 0.51724227 0.71452510 1.0 B B32 1 0.50000000 0.59973018 0.02654245 1.0 B B33 1 0.50000000 0.40026982 0.97345755 1.0 B B34 1 0.50000000 0.09973018 0.47345755 1.0 B B35 1 0.50000000 0.90026982 0.52654245 1.0