# generated using pymatgen data_CeErReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71750920 _cell_length_b 9.16561659 _cell_length_c 11.55432961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeErReB6 _chemical_formula_sum 'Ce4 Er4 Re4 B24' _cell_volume 393.69372379 _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 0.32215256 0.41421167 1.0 Ce Ce1 1 0.00000000 0.67784744 0.58578833 1.0 Ce Ce2 1 0.00000000 0.82215256 0.08578833 1.0 Ce Ce3 1 0.00000000 0.17784744 0.91421167 1.0 Er Er4 1 0.00000000 0.94455050 0.37283585 1.0 Er Er5 1 0.00000000 0.05544950 0.62716415 1.0 Er Er6 1 0.00000000 0.44455050 0.12716415 1.0 Er Er7 1 0.00000000 0.55544950 0.87283585 1.0 Re Re8 1 0.00000000 0.63879653 0.32061230 1.0 Re Re9 1 0.00000000 0.36120347 0.67938770 1.0 Re Re10 1 0.00000000 0.13879653 0.17938770 1.0 Re Re11 1 0.00000000 0.86120347 0.82061230 1.0 B B12 1 0.50000000 0.55482483 0.43118315 1.0 B B13 1 0.50000000 0.44517517 0.56881685 1.0 B B14 1 0.50000000 0.05482483 0.06881685 1.0 B B15 1 0.50000000 0.94517517 0.93118315 1.0 B B16 1 0.50000000 0.74930876 0.41816966 1.0 B B17 1 0.50000000 0.25069124 0.58183034 1.0 B B18 1 0.50000000 0.24930876 0.08183034 1.0 B B19 1 0.50000000 0.75069124 0.91816966 1.0 B B20 1 0.50000000 0.79175807 0.26628869 1.0 B B21 1 0.50000000 0.20824193 0.73371131 1.0 B B22 1 0.50000000 0.29175807 0.23371131 1.0 B B23 1 0.50000000 0.70824193 0.76628869 1.0 B B24 1 0.50000000 0.63135358 0.18579343 1.0 B B25 1 0.50000000 0.36864642 0.81420657 1.0 B B26 1 0.50000000 0.13135358 0.31420657 1.0 B B27 1 0.50000000 0.86864642 0.68579343 1.0 B B28 1 0.50000000 0.98394296 0.21352823 1.0 B B29 1 0.50000000 0.01605704 0.78647177 1.0 B B30 1 0.50000000 0.48394296 0.28647177 1.0 B B31 1 0.50000000 0.51605704 0.71352823 1.0 B B32 1 0.50000000 0.60641151 0.02935594 1.0 B B33 1 0.50000000 0.39358849 0.97064406 1.0 B B34 1 0.50000000 0.10641151 0.47064406 1.0 B B35 1 0.50000000 0.89358849 0.52935594 1.0