# generated using pymatgen data_Tb10B2I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58660634 _cell_length_b 10.36672563 _cell_length_c 11.26883368 _cell_angle_alpha 91.68433640 _cell_angle_beta 114.35869775 _cell_angle_gamma 110.59225982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb10B2I15 _chemical_formula_sum 'Tb10 B2 I15' _cell_volume 934.83915433 _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 Tb Tb0 1 0.78694445 0.39565951 0.26911404 1.0 Tb Tb1 1 0.21305555 0.60434049 0.73088596 1.0 Tb Tb2 1 0.66429300 0.75119335 0.82494841 1.0 Tb Tb3 1 0.33570700 0.24880665 0.17505159 1.0 Tb Tb4 1 0.52286941 0.71460812 0.08782944 1.0 Tb Tb5 1 0.47713059 0.28539188 0.91217056 1.0 Tb Tb6 1 0.58017312 0.04243772 0.30988642 1.0 Tb Tb7 1 0.41982688 0.95756228 0.69011358 1.0 Tb Tb8 1 0.70810445 0.07009007 0.04540054 1.0 Tb Tb9 1 0.29189555 0.92990993 0.95459946 1.0 B B10 1 0.46771194 0.82017812 0.87799305 1.0 B B11 1 0.53228806 0.17982188 0.12200695 1.0 I I12 1 0.00000000 0.00000000 0.00000000 1.0 I I13 1 0.63854803 0.88148134 0.58142691 1.0 I I14 1 0.36145197 0.11851866 0.41857309 1.0 I I15 1 0.88522006 0.29885484 0.53164047 1.0 I I16 1 0.11477994 0.70114516 0.46835953 1.0 I I17 1 0.28097679 0.75891866 0.17788065 1.0 I I18 1 0.71902321 0.24108134 0.82211935 1.0 I I19 1 0.05804929 0.34172465 0.22663306 1.0 I I20 1 0.15727074 0.05455463 0.70061498 1.0 I I21 1 0.84272926 0.94544537 0.29938502 1.0 I I22 1 0.22910667 0.40891551 0.94093930 1.0 I I23 1 0.77089333 0.59108449 0.05906070 1.0 I I24 1 0.40933689 0.45914621 0.65848146 1.0 I I25 1 0.59066311 0.54085379 0.34151854 1.0 I I26 1 0.94195071 0.65827535 0.77336694 1.0