# generated using pymatgen data_CeCrB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54916300 _cell_length_b 5.96060400 _cell_length_c 11.52375000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeCrB4 _chemical_formula_sum 'Ce4 Cr4 B16' _cell_volume 243.78671944 _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 0.62397300 0.34891100 1.0 Ce Ce1 1 0.00000000 0.37602700 0.65108900 1.0 Ce Ce2 1 0.00000000 0.12397300 0.15108900 1.0 Ce Ce3 1 0.00000000 0.87602700 0.84891100 1.0 Cr Cr4 1 0.00000000 0.62356900 0.08136000 1.0 Cr Cr5 1 0.00000000 0.37643100 0.91864000 1.0 Cr Cr6 1 0.00000000 0.12356900 0.41864000 1.0 Cr Cr7 1 0.00000000 0.87643100 0.58136000 1.0 B B8 1 0.50000000 0.77912500 0.18290800 1.0 B B9 1 0.50000000 0.22087500 0.81709200 1.0 B B10 1 0.50000000 0.27912500 0.31709200 1.0 B B11 1 0.50000000 0.72087500 0.68290800 1.0 B B12 1 0.50000000 0.86008700 0.03299900 1.0 B B13 1 0.50000000 0.13991300 0.96700100 1.0 B B14 1 0.50000000 0.36008700 0.46700100 1.0 B B15 1 0.50000000 0.63991300 0.53299900 1.0 B B16 1 0.50000000 0.88796300 0.45411400 1.0 B B17 1 0.50000000 0.11203700 0.54588600 1.0 B B18 1 0.50000000 0.38796300 0.04588600 1.0 B B19 1 0.50000000 0.61203700 0.95411400 1.0 B B20 1 0.50000000 0.97546600 0.31012600 1.0 B B21 1 0.50000000 0.02453400 0.68987400 1.0 B B22 1 0.50000000 0.47546600 0.18987400 1.0 B B23 1 0.50000000 0.52453400 0.81012600 1.0