# generated using pymatgen data_YbSc3(B6Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50272156 _cell_length_b 8.90880063 _cell_length_c 11.24622151 _cell_angle_alpha 89.95101680 _cell_angle_beta 90.00001136 _cell_angle_gamma 89.99998648 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSc3(B6Ru)2 _chemical_formula_sum 'Yb2 Sc6 B24 Ru4' _cell_volume 350.93875435 _cell_formula_units_Z 2 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 Yb Yb0 1 0.99999984 0.32300547 0.41446284 1.0 Yb Yb1 1 0.00000016 0.67699453 0.58553716 1.0 Sc Sc2 1 0.99999689 0.82045439 0.08570868 1.0 Sc Sc3 1 0.00000311 0.17954561 0.91429132 1.0 Sc Sc4 1 0.00000016 0.94309405 0.37039807 1.0 Sc Sc5 1 0.99999984 0.05690595 0.62960193 1.0 Sc Sc6 1 0.99999995 0.44342511 0.12880137 1.0 Sc Sc7 1 0.00000005 0.55657489 0.87119863 1.0 B B8 1 0.49999967 0.55477733 0.43174355 1.0 B B9 1 0.50000033 0.44522267 0.56825645 1.0 B B10 1 0.50000038 0.05366164 0.06441497 1.0 B B11 1 0.49999962 0.94633836 0.93558503 1.0 B B12 1 0.49999948 0.75207601 0.41721658 1.0 B B13 1 0.50000052 0.24792399 0.58278342 1.0 B B14 1 0.50000085 0.25138591 0.07890143 1.0 B B15 1 0.49999915 0.74861409 0.92109857 1.0 B B16 1 0.49999912 0.79463640 0.26173576 1.0 B B17 1 0.50000088 0.20536360 0.73826424 1.0 B B18 1 0.49999966 0.29255050 0.23390504 1.0 B B19 1 0.50000034 0.70744950 0.76609496 1.0 B B20 1 0.49999898 0.63080057 0.18134710 1.0 B B21 1 0.50000102 0.36919943 0.81865290 1.0 B B22 1 0.49999989 0.12938070 0.31531428 1.0 B B23 1 0.50000011 0.87061930 0.68468572 1.0 B B24 1 0.49999950 0.98054375 0.21109897 1.0 B B25 1 0.50000050 0.01945625 0.78890103 1.0 B B26 1 0.49999938 0.48211909 0.28546943 1.0 B B27 1 0.50000062 0.51788091 0.71453057 1.0 B B28 1 0.49999946 0.60039777 0.02717572 1.0 B B29 1 0.50000054 0.39960223 0.97282428 1.0 B B30 1 0.50000009 0.09687079 0.47359392 1.0 B B31 1 0.49999991 0.90312921 0.52640608 1.0 Ru Ru32 1 0.99999922 0.64195434 0.31570820 1.0 Ru Ru33 1 0.00000078 0.35804566 0.68429180 1.0 Ru Ru34 1 0.00000052 0.13755349 0.17735330 1.0 Ru Ru35 1 0.99999948 0.86244651 0.82264670 1.0