# generated using pymatgen data_Tm4TcB12Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62237347 _cell_length_b 9.06241384 _cell_length_c 11.43401797 _cell_angle_alpha 89.76571196 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4TcB12Ir _chemical_formula_sum 'Tm8 Tc2 B24 Ir2' _cell_volume 375.34648577 _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 Tm Tm0 1 0.00000000 0.32634145 0.41814913 1.0 Tm Tm1 1 0.00000000 0.67365855 0.58185087 1.0 Tm Tm2 1 0.00000000 0.81530425 0.09038822 1.0 Tm Tm3 1 0.00000000 0.18469575 0.90961178 1.0 Tm Tm4 1 0.00000000 0.94092185 0.37467703 1.0 Tm Tm5 1 0.00000000 0.05907815 0.62532297 1.0 Tm Tm6 1 0.00000000 0.44669456 0.12779659 1.0 Tm Tm7 1 0.00000000 0.55330544 0.87220341 1.0 Tc Tc8 1 0.00000000 0.63821442 0.31968564 1.0 Tc Tc9 1 0.00000000 0.36178558 0.68031436 1.0 B B10 1 0.50000000 0.55274861 0.43286493 1.0 B B11 1 0.50000000 0.44725139 0.56713507 1.0 B B12 1 0.50000000 0.05375904 0.06571291 1.0 B B13 1 0.50000000 0.94624096 0.93428709 1.0 B B14 1 0.50000000 0.74756436 0.41962471 1.0 B B15 1 0.50000000 0.25243564 0.58037529 1.0 B B16 1 0.50000000 0.24970142 0.07846118 1.0 B B17 1 0.50000000 0.75029858 0.92153882 1.0 B B18 1 0.50000000 0.79233847 0.26554793 1.0 B B19 1 0.50000000 0.20766153 0.73445207 1.0 B B20 1 0.50000000 0.29114617 0.23421671 1.0 B B21 1 0.50000000 0.70885383 0.76578329 1.0 B B22 1 0.50000000 0.63153738 0.18504719 1.0 B B23 1 0.50000000 0.36846262 0.81495281 1.0 B B24 1 0.50000000 0.13131823 0.31635651 1.0 B B25 1 0.50000000 0.86868177 0.68364349 1.0 B B26 1 0.50000000 0.98169785 0.21301314 1.0 B B27 1 0.50000000 0.01830215 0.78698686 1.0 B B28 1 0.50000000 0.48177624 0.28699706 1.0 B B29 1 0.50000000 0.51822376 0.71300294 1.0 B B30 1 0.50000000 0.60830788 0.02932083 1.0 B B31 1 0.50000000 0.39169212 0.97067917 1.0 B B32 1 0.50000000 0.10845503 0.46956918 1.0 B B33 1 0.50000000 0.89154497 0.53043082 1.0 Ir Ir34 1 0.00000000 0.13668906 0.17753788 1.0 Ir Ir35 1 0.00000000 0.86331094 0.82246212 1.0