# generated using pymatgen data_YZrReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61214960 _cell_length_b 9.02455213 _cell_length_c 11.40841546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrReB6 _chemical_formula_sum 'Y4 Zr4 Re4 B24' _cell_volume 371.89189658 _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 Y Y0 1 0.00000000 0.32192654 0.41379247 1.0 Y Y1 1 0.00000000 0.67807346 0.58620753 1.0 Y Y2 1 0.00000000 0.82192654 0.08620753 1.0 Y Y3 1 0.00000000 0.17807346 0.91379247 1.0 Zr Zr4 1 0.00000000 0.94500611 0.37231790 1.0 Zr Zr5 1 0.00000000 0.05499389 0.62768210 1.0 Zr Zr6 1 0.00000000 0.44500611 0.12768210 1.0 Zr Zr7 1 0.00000000 0.55499389 0.87231790 1.0 Re Re8 1 0.00000000 0.64071396 0.31813446 1.0 Re Re9 1 0.00000000 0.35928604 0.68186554 1.0 Re Re10 1 0.00000000 0.14071396 0.18186554 1.0 Re Re11 1 0.00000000 0.85928604 0.81813446 1.0 B B12 1 0.50000000 0.55439893 0.43278134 1.0 B B13 1 0.50000000 0.44560107 0.56721866 1.0 B B14 1 0.50000000 0.05439893 0.06721866 1.0 B B15 1 0.50000000 0.94560107 0.93278134 1.0 B B16 1 0.50000000 0.75165486 0.41783851 1.0 B B17 1 0.50000000 0.24834514 0.58216149 1.0 B B18 1 0.50000000 0.25165486 0.08216149 1.0 B B19 1 0.50000000 0.74834514 0.91783851 1.0 B B20 1 0.50000000 0.79439125 0.26443688 1.0 B B21 1 0.50000000 0.20560875 0.73556312 1.0 B B22 1 0.50000000 0.29439125 0.23556312 1.0 B B23 1 0.50000000 0.70560875 0.76443688 1.0 B B24 1 0.50000000 0.63042157 0.18343076 1.0 B B25 1 0.50000000 0.36957843 0.81656924 1.0 B B26 1 0.50000000 0.13042157 0.31656924 1.0 B B27 1 0.50000000 0.86957843 0.68343076 1.0 B B28 1 0.50000000 0.98230979 0.21335120 1.0 B B29 1 0.50000000 0.01769021 0.78664880 1.0 B B30 1 0.50000000 0.48230979 0.28664880 1.0 B B31 1 0.50000000 0.51769021 0.71335120 1.0 B B32 1 0.50000000 0.60080277 0.02701844 1.0 B B33 1 0.50000000 0.39919723 0.97298156 1.0 B B34 1 0.50000000 0.10080277 0.47298156 1.0 B B35 1 0.50000000 0.89919723 0.52701844 1.0