# generated using pymatgen data_YTaCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39143670 _cell_length_b 8.93358870 _cell_length_c 11.27098959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaCrB6 _chemical_formula_sum 'Y4 Ta4 Cr4 B24' _cell_volume 341.48506840 _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 0.82263195 0.08536730 1.0 Y Y1 1 0.00000000 0.17736805 0.91463270 1.0 Y Y2 1 0.00000000 0.32263195 0.41463270 1.0 Y Y3 1 0.00000000 0.67736805 0.58536730 1.0 Ta Ta4 1 0.00000000 0.44622446 0.12695616 1.0 Ta Ta5 1 0.00000000 0.55377554 0.87304384 1.0 Ta Ta6 1 0.00000000 0.94622446 0.37304384 1.0 Ta Ta7 1 0.00000000 0.05377554 0.62695616 1.0 Cr Cr8 1 0.00000000 0.14460107 0.18397565 1.0 Cr Cr9 1 0.00000000 0.85539893 0.81602435 1.0 Cr Cr10 1 0.00000000 0.64460107 0.31602435 1.0 Cr Cr11 1 0.00000000 0.35539893 0.68397565 1.0 B B12 1 0.50000000 0.05532614 0.06793773 1.0 B B13 1 0.50000000 0.94467386 0.93206227 1.0 B B14 1 0.50000000 0.55532614 0.43206227 1.0 B B15 1 0.50000000 0.44467386 0.56793773 1.0 B B16 1 0.50000000 0.25437244 0.08253916 1.0 B B17 1 0.50000000 0.74562756 0.91746084 1.0 B B18 1 0.50000000 0.75437244 0.41746084 1.0 B B19 1 0.50000000 0.24562756 0.58253916 1.0 B B20 1 0.50000000 0.29765316 0.23633191 1.0 B B21 1 0.50000000 0.70234684 0.76366809 1.0 B B22 1 0.50000000 0.79765316 0.26366809 1.0 B B23 1 0.50000000 0.20234684 0.73633191 1.0 B B24 1 0.50000000 0.13016985 0.31821771 1.0 B B25 1 0.50000000 0.86983015 0.68178229 1.0 B B26 1 0.50000000 0.63016985 0.18178229 1.0 B B27 1 0.50000000 0.36983015 0.81821771 1.0 B B28 1 0.50000000 0.48257149 0.28612729 1.0 B B29 1 0.50000000 0.51742851 0.71387271 1.0 B B30 1 0.50000000 0.98257149 0.21387271 1.0 B B31 1 0.50000000 0.01742851 0.78612729 1.0 B B32 1 0.50000000 0.09935900 0.47391949 1.0 B B33 1 0.50000000 0.90064100 0.52608051 1.0 B B34 1 0.50000000 0.59935900 0.02608051 1.0 B B35 1 0.50000000 0.40064100 0.97391949 1.0