# generated using pymatgen data_TbScFeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44192250 _cell_length_b 8.91585280 _cell_length_c 11.28390961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbScFeB6 _chemical_formula_sum 'Tb4 Sc4 Fe4 B24' _cell_volume 346.27694373 _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 0.32224221 0.41462148 1.0 Tb Tb1 1 0.00000000 0.67775779 0.58537852 1.0 Tb Tb2 1 0.00000000 0.82224221 0.08537852 1.0 Tb Tb3 1 0.00000000 0.17775779 0.91462148 1.0 Sc Sc4 1 0.00000000 0.94426670 0.37146280 1.0 Sc Sc5 1 0.00000000 0.05573330 0.62853720 1.0 Sc Sc6 1 0.00000000 0.44426670 0.12853720 1.0 Sc Sc7 1 0.00000000 0.55573330 0.87146280 1.0 Fe Fe8 1 0.00000000 0.64090932 0.31795867 1.0 Fe Fe9 1 0.00000000 0.35909068 0.68204133 1.0 Fe Fe10 1 0.00000000 0.14090932 0.18204133 1.0 Fe Fe11 1 0.00000000 0.85909068 0.81795867 1.0 B B12 1 0.50000000 0.55642174 0.43033279 1.0 B B13 1 0.50000000 0.44357826 0.56966721 1.0 B B14 1 0.50000000 0.05642174 0.06966721 1.0 B B15 1 0.50000000 0.94357826 0.93033279 1.0 B B16 1 0.50000000 0.75121455 0.41652678 1.0 B B17 1 0.50000000 0.24878545 0.58347322 1.0 B B18 1 0.50000000 0.25121455 0.08347322 1.0 B B19 1 0.50000000 0.74878545 0.91652678 1.0 B B20 1 0.50000000 0.79199323 0.26568151 1.0 B B21 1 0.50000000 0.20800677 0.73431849 1.0 B B22 1 0.50000000 0.29199323 0.23431849 1.0 B B23 1 0.50000000 0.70800677 0.76568151 1.0 B B24 1 0.50000000 0.62987602 0.18414572 1.0 B B25 1 0.50000000 0.37012398 0.81585428 1.0 B B26 1 0.50000000 0.12987602 0.31585428 1.0 B B27 1 0.50000000 0.87012398 0.68414572 1.0 B B28 1 0.50000000 0.98520556 0.21408872 1.0 B B29 1 0.50000000 0.01479444 0.78591128 1.0 B B30 1 0.50000000 0.48520556 0.28591128 1.0 B B31 1 0.50000000 0.51479444 0.71408872 1.0 B B32 1 0.50000000 0.59974019 0.02674425 1.0 B B33 1 0.50000000 0.40025981 0.97325575 1.0 B B34 1 0.50000000 0.09974019 0.47325575 1.0 B B35 1 0.50000000 0.90025981 0.52674425 1.0