# generated using pymatgen data_YZrCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48046740 _cell_length_b 9.02399289 _cell_length_c 11.40436896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrCrB6 _chemical_formula_sum 'Y4 Zr4 Cr4 B24' _cell_volume 358.18514805 _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 0.82226136 0.08515671 1.0 Y Y1 1 0.00000000 0.17773864 0.91484329 1.0 Y Y2 1 0.00000000 0.32226136 0.41484329 1.0 Y Y3 1 0.00000000 0.67773864 0.58515671 1.0 Zr Zr4 1 0.00000000 0.44404021 0.12931979 1.0 Zr Zr5 1 0.00000000 0.55595979 0.87068021 1.0 Zr Zr6 1 0.00000000 0.94404021 0.37068021 1.0 Zr Zr7 1 0.00000000 0.05595979 0.62931979 1.0 Cr Cr8 1 0.00000000 0.14192815 0.18248770 1.0 Cr Cr9 1 0.00000000 0.85807185 0.81751230 1.0 Cr Cr10 1 0.00000000 0.64192815 0.31751230 1.0 Cr Cr11 1 0.00000000 0.35807185 0.68248770 1.0 B B12 1 0.50000000 0.05452145 0.06786022 1.0 B B13 1 0.50000000 0.94547855 0.93213978 1.0 B B14 1 0.50000000 0.55452145 0.43213978 1.0 B B15 1 0.50000000 0.44547855 0.56786022 1.0 B B16 1 0.50000000 0.25106685 0.08268568 1.0 B B17 1 0.50000000 0.74893315 0.91731432 1.0 B B18 1 0.50000000 0.75106685 0.41731432 1.0 B B19 1 0.50000000 0.24893315 0.58268568 1.0 B B20 1 0.50000000 0.29430053 0.23588256 1.0 B B21 1 0.50000000 0.70569947 0.76411744 1.0 B B22 1 0.50000000 0.79430053 0.26411744 1.0 B B23 1 0.50000000 0.20569947 0.73588256 1.0 B B24 1 0.50000000 0.13066074 0.31591198 1.0 B B25 1 0.50000000 0.86933926 0.68408802 1.0 B B26 1 0.50000000 0.63066074 0.18408802 1.0 B B27 1 0.50000000 0.36933926 0.81591198 1.0 B B28 1 0.50000000 0.48285813 0.28738923 1.0 B B29 1 0.50000000 0.51714187 0.71261077 1.0 B B30 1 0.50000000 0.98285813 0.21261077 1.0 B B31 1 0.50000000 0.01714187 0.78738923 1.0 B B32 1 0.50000000 0.10014347 0.47312955 1.0 B B33 1 0.50000000 0.89985653 0.52687045 1.0 B B34 1 0.50000000 0.60014347 0.02687045 1.0 B B35 1 0.50000000 0.39985653 0.97312955 1.0