# generated using pymatgen data_ScUCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48352674 _cell_length_b 8.96849585 _cell_length_c 11.32628808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScUCrB6 _chemical_formula_sum 'Sc4 U4 Cr4 B24' _cell_volume 353.85583698 _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 Sc Sc0 1 0.00000000 0.44446286 0.12783555 1.0 Sc Sc1 1 0.00000000 0.55553714 0.87216445 1.0 Sc Sc2 1 0.00000000 0.94446286 0.37216445 1.0 Sc Sc3 1 0.00000000 0.05553714 0.62783555 1.0 U U4 1 0.00000000 0.82080792 0.08574709 1.0 U U5 1 0.00000000 0.17919208 0.91425291 1.0 U U6 1 0.00000000 0.32080792 0.41425291 1.0 U U7 1 0.00000000 0.67919208 0.58574709 1.0 Cr Cr8 1 0.00000000 0.14088567 0.18062863 1.0 Cr Cr9 1 0.00000000 0.85911433 0.81937137 1.0 Cr Cr10 1 0.00000000 0.64088567 0.31937137 1.0 Cr Cr11 1 0.00000000 0.35911433 0.68062863 1.0 B B12 1 0.50000000 0.05314795 0.06733086 1.0 B B13 1 0.50000000 0.94685205 0.93266914 1.0 B B14 1 0.50000000 0.55314795 0.43266914 1.0 B B15 1 0.50000000 0.44685205 0.56733086 1.0 B B16 1 0.50000000 0.25208064 0.08138761 1.0 B B17 1 0.50000000 0.74791936 0.91861239 1.0 B B18 1 0.50000000 0.75208064 0.41861239 1.0 B B19 1 0.50000000 0.24791936 0.58138761 1.0 B B20 1 0.50000000 0.29452665 0.23412299 1.0 B B21 1 0.50000000 0.70547335 0.76587701 1.0 B B22 1 0.50000000 0.79452665 0.26587701 1.0 B B23 1 0.50000000 0.20547335 0.73412299 1.0 B B24 1 0.50000000 0.13051946 0.31625183 1.0 B B25 1 0.50000000 0.86948054 0.68374817 1.0 B B26 1 0.50000000 0.63051946 0.18374817 1.0 B B27 1 0.50000000 0.36948054 0.81625183 1.0 B B28 1 0.50000000 0.48203898 0.28570377 1.0 B B29 1 0.50000000 0.51796102 0.71429623 1.0 B B30 1 0.50000000 0.98203898 0.21429623 1.0 B B31 1 0.50000000 0.01796102 0.78570377 1.0 B B32 1 0.50000000 0.10008972 0.47266486 1.0 B B33 1 0.50000000 0.89991028 0.52733514 1.0 B B34 1 0.50000000 0.60008972 0.02733514 1.0 B B35 1 0.50000000 0.39991028 0.97266486 1.0