# generated using pymatgen data_TbScVB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48199846 _cell_length_b 9.09171210 _cell_length_c 11.43906012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbScVB6 _chemical_formula_sum 'Tb4 Sc4 V4 B24' _cell_volume 362.13007301 _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 Tb Tb0 1 0.00000000 0.82307173 0.08492536 1.0 Tb Tb1 1 0.00000000 0.17692827 0.91507464 1.0 Tb Tb2 1 0.00000000 0.32307173 0.41507464 1.0 Tb Tb3 1 0.00000000 0.67692827 0.58492536 1.0 Sc Sc4 1 0.00000000 0.44306983 0.13172575 1.0 Sc Sc5 1 0.00000000 0.55693017 0.86827425 1.0 Sc Sc6 1 0.00000000 0.94306983 0.36827425 1.0 Sc Sc7 1 0.00000000 0.05693017 0.63172575 1.0 V V8 1 0.00000000 0.14276514 0.18230314 1.0 V V9 1 0.00000000 0.85723486 0.81769686 1.0 V V10 1 0.00000000 0.64276514 0.31769686 1.0 V V11 1 0.00000000 0.35723486 0.68230314 1.0 B B12 1 0.50000000 0.05465917 0.06728742 1.0 B B13 1 0.50000000 0.94534083 0.93271258 1.0 B B14 1 0.50000000 0.55465917 0.43271258 1.0 B B15 1 0.50000000 0.44534083 0.56728742 1.0 B B16 1 0.50000000 0.25496251 0.08227259 1.0 B B17 1 0.50000000 0.74503749 0.91772741 1.0 B B18 1 0.50000000 0.75496251 0.41772741 1.0 B B19 1 0.50000000 0.24503749 0.58227259 1.0 B B20 1 0.50000000 0.29607487 0.23663181 1.0 B B21 1 0.50000000 0.70392513 0.76336819 1.0 B B22 1 0.50000000 0.79607487 0.26336819 1.0 B B23 1 0.50000000 0.20392513 0.73663181 1.0 B B24 1 0.50000000 0.12967490 0.31813920 1.0 B B25 1 0.50000000 0.87032510 0.68186080 1.0 B B26 1 0.50000000 0.62967490 0.18186080 1.0 B B27 1 0.50000000 0.37032510 0.81813920 1.0 B B28 1 0.50000000 0.48175408 0.28604843 1.0 B B29 1 0.50000000 0.51824592 0.71395157 1.0 B B30 1 0.50000000 0.98175408 0.21395157 1.0 B B31 1 0.50000000 0.01824592 0.78604843 1.0 B B32 1 0.50000000 0.09451382 0.47453530 1.0 B B33 1 0.50000000 0.90548618 0.52546470 1.0 B B34 1 0.50000000 0.59451382 0.02546470 1.0 B B35 1 0.50000000 0.40548618 0.97453530 1.0