# generated using pymatgen data_Tm7Sc(MnB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47430172 _cell_length_b 9.00946379 _cell_length_c 11.37369052 _cell_angle_alpha 89.99053555 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm7Sc(MnB6)4 _chemical_formula_sum 'Tm7 Sc1 Mn4 B24' _cell_volume 356.01465519 _cell_formula_units_Z 1 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 Tm Tm0 1 0.00000000 0.94262918 0.36983485 1.0 Tm Tm1 1 0.00000000 0.05871374 0.63018104 1.0 Tm Tm2 1 0.00000000 0.55573245 0.87048674 1.0 Tm Tm3 1 0.00000000 0.18016660 0.91310909 1.0 Tm Tm4 1 0.00000000 0.82120627 0.08459570 1.0 Tm Tm5 1 0.00000000 0.67410453 0.58582622 1.0 Tm Tm6 1 0.00000000 0.32349268 0.41682514 1.0 Sc Sc7 1 0.00000000 0.44292075 0.13004911 1.0 Mn Mn8 1 0.00000000 0.14181513 0.17956923 1.0 Mn Mn9 1 0.00000000 0.36112354 0.68104872 1.0 Mn Mn10 1 0.00000000 0.86073955 0.82053540 1.0 Mn Mn11 1 0.00000000 0.63669564 0.31804818 1.0 B B12 1 0.50000000 0.36881726 0.81421561 1.0 B B13 1 0.50000000 0.98318012 0.21069543 1.0 B B14 1 0.50000000 0.55225486 0.43219381 1.0 B B15 1 0.50000000 0.29419385 0.23437141 1.0 B B16 1 0.50000000 0.20993176 0.73532860 1.0 B B17 1 0.50000000 0.10522535 0.47099032 1.0 B B18 1 0.50000000 0.79024122 0.26341363 1.0 B B19 1 0.50000000 0.44622103 0.56817348 1.0 B B20 1 0.50000000 0.25388825 0.58305009 1.0 B B21 1 0.50000000 0.48094246 0.28633952 1.0 B B22 1 0.50000000 0.70835265 0.76520500 1.0 B B23 1 0.50000000 0.74681862 0.41818434 1.0 B B24 1 0.50000000 0.51567178 0.71163356 1.0 B B25 1 0.50000000 0.89424559 0.52868884 1.0 B B26 1 0.50000000 0.05548598 0.06684597 1.0 B B27 1 0.50000000 0.59962866 0.03005122 1.0 B B28 1 0.50000000 0.75183652 0.91935707 1.0 B B29 1 0.50000000 0.01742348 0.78882555 1.0 B B30 1 0.50000000 0.39809323 0.97463163 1.0 B B31 1 0.50000000 0.94695496 0.93322906 1.0 B B32 1 0.50000000 0.62850371 0.18335592 1.0 B B33 1 0.50000000 0.25204593 0.08120455 1.0 B B34 1 0.50000000 0.86792887 0.68548660 1.0 B B35 1 0.50000000 0.13277079 0.31442035 1.0