# generated using pymatgen data_ScUMnB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48116707 _cell_length_b 8.91063931 _cell_length_c 11.25573256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScUMnB6 _chemical_formula_sum 'Sc4 U4 Mn4 B24' _cell_volume 349.14634218 _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 0.44431027 0.12781628 1.0 Sc Sc1 1 0.00000000 0.55568973 0.87218372 1.0 Sc Sc2 1 0.00000000 0.94431027 0.37218372 1.0 Sc Sc3 1 0.00000000 0.05568973 0.62781628 1.0 U U4 1 0.00000000 0.82178724 0.08599658 1.0 U U5 1 0.00000000 0.17821276 0.91400342 1.0 U U6 1 0.00000000 0.32178724 0.41400342 1.0 U U7 1 0.00000000 0.67821276 0.58599658 1.0 Mn Mn8 1 0.00000000 0.14080212 0.18071343 1.0 Mn Mn9 1 0.00000000 0.85919788 0.81928657 1.0 Mn Mn10 1 0.00000000 0.64080212 0.31928657 1.0 Mn Mn11 1 0.00000000 0.35919788 0.68071343 1.0 B B12 1 0.50000000 0.05429468 0.06846496 1.0 B B13 1 0.50000000 0.94570532 0.93153504 1.0 B B14 1 0.50000000 0.55429468 0.43153504 1.0 B B15 1 0.50000000 0.44570532 0.56846496 1.0 B B16 1 0.50000000 0.25113697 0.08195283 1.0 B B17 1 0.50000000 0.74886303 0.91804717 1.0 B B18 1 0.50000000 0.75113697 0.41804717 1.0 B B19 1 0.50000000 0.24886303 0.58195283 1.0 B B20 1 0.50000000 0.29340838 0.23343429 1.0 B B21 1 0.50000000 0.70659162 0.76656571 1.0 B B22 1 0.50000000 0.79340838 0.26656571 1.0 B B23 1 0.50000000 0.20659162 0.73343429 1.0 B B24 1 0.50000000 0.13117214 0.31572228 1.0 B B25 1 0.50000000 0.86882786 0.68427772 1.0 B B26 1 0.50000000 0.63117214 0.18427772 1.0 B B27 1 0.50000000 0.36882786 0.81572228 1.0 B B28 1 0.50000000 0.48411809 0.28581061 1.0 B B29 1 0.50000000 0.51588191 0.71418939 1.0 B B30 1 0.50000000 0.98411809 0.21418939 1.0 B B31 1 0.50000000 0.01588191 0.78581061 1.0 B B32 1 0.50000000 0.10097185 0.47254666 1.0 B B33 1 0.50000000 0.89902815 0.52745334 1.0 B B34 1 0.50000000 0.60097185 0.02745334 1.0 B B35 1 0.50000000 0.39902815 0.97254666 1.0