# generated using pymatgen data_CeZrReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65585913 _cell_length_b 9.06749789 _cell_length_c 11.46732640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeZrReB6 _chemical_formula_sum 'Ce4 Zr4 Re4 B24' _cell_volume 380.13607824 _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 0.32232179 0.41425692 1.0 Ce Ce1 1 0.00000000 0.67767821 0.58574308 1.0 Ce Ce2 1 0.00000000 0.82232179 0.08574308 1.0 Ce Ce3 1 0.00000000 0.17767821 0.91425692 1.0 Zr Zr4 1 0.00000000 0.94471878 0.37380460 1.0 Zr Zr5 1 0.00000000 0.05528122 0.62619540 1.0 Zr Zr6 1 0.00000000 0.44471878 0.12619540 1.0 Zr Zr7 1 0.00000000 0.55528122 0.87380460 1.0 Re Re8 1 0.00000000 0.64142492 0.31779341 1.0 Re Re9 1 0.00000000 0.35857508 0.68220659 1.0 Re Re10 1 0.00000000 0.14142492 0.18220659 1.0 Re Re11 1 0.00000000 0.85857508 0.81779341 1.0 B B12 1 0.50000000 0.55549381 0.43179041 1.0 B B13 1 0.50000000 0.44450619 0.56820959 1.0 B B14 1 0.50000000 0.05549381 0.06820959 1.0 B B15 1 0.50000000 0.94450619 0.93179041 1.0 B B16 1 0.50000000 0.75236531 0.41729333 1.0 B B17 1 0.50000000 0.24763469 0.58270667 1.0 B B18 1 0.50000000 0.25236531 0.08270667 1.0 B B19 1 0.50000000 0.74763469 0.91729333 1.0 B B20 1 0.50000000 0.79467314 0.26449460 1.0 B B21 1 0.50000000 0.20532686 0.73550540 1.0 B B22 1 0.50000000 0.29467314 0.23550540 1.0 B B23 1 0.50000000 0.70532686 0.76449460 1.0 B B24 1 0.50000000 0.63013743 0.18351238 1.0 B B25 1 0.50000000 0.36986257 0.81648762 1.0 B B26 1 0.50000000 0.13013743 0.31648762 1.0 B B27 1 0.50000000 0.86986257 0.68351238 1.0 B B28 1 0.50000000 0.98289618 0.21424358 1.0 B B29 1 0.50000000 0.01710382 0.78575642 1.0 B B30 1 0.50000000 0.48289618 0.28575642 1.0 B B31 1 0.50000000 0.51710382 0.71424358 1.0 B B32 1 0.50000000 0.60033509 0.02691233 1.0 B B33 1 0.50000000 0.39966491 0.97308767 1.0 B B34 1 0.50000000 0.10033509 0.47308767 1.0 B B35 1 0.50000000 0.89966491 0.52691233 1.0