# generated using pymatgen data_Ta12Tc11B12Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15949994 _cell_length_b 9.00900264 _cell_length_c 15.61243580 _cell_angle_alpha 89.79653651 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Tc11B12Rh _chemical_formula_sum 'Ta12 Tc11 B12 Rh1' _cell_volume 444.38868626 _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 Ta Ta0 1 0.00000000 0.80687652 0.49385522 1.0 Ta Ta1 1 0.00000000 0.19381554 0.50671277 1.0 Ta Ta2 1 0.00000000 0.30536949 0.00682435 1.0 Ta Ta3 1 0.00000000 0.69236811 0.99248199 1.0 Ta Ta4 1 0.00000000 0.51793607 0.59547442 1.0 Ta Ta5 1 0.00000000 0.48480364 0.40416671 1.0 Ta Ta6 1 0.00000000 0.01657728 0.90452619 1.0 Ta Ta7 1 0.00000000 0.98262667 0.09597985 1.0 Ta Ta8 1 0.00000000 0.67596467 0.20669711 1.0 Ta Ta9 1 0.00000000 0.32049357 0.79288403 1.0 Ta Ta10 1 0.00000000 0.18568388 0.29452351 1.0 Ta Ta11 1 0.00000000 0.82141647 0.70723213 1.0 Tc Tc12 1 0.50000000 0.71959739 0.35716442 1.0 Tc Tc13 1 0.50000000 0.28289012 0.64134061 1.0 Tc Tc14 1 0.50000000 0.21423843 0.14242730 1.0 Tc Tc15 1 0.50000000 0.78252567 0.85831429 1.0 Tc Tc16 1 0.50000000 0.51872747 0.09587086 1.0 Tc Tc17 1 0.50000000 0.48067452 0.90597992 1.0 Tc Tc18 1 0.50000000 0.01974536 0.40228386 1.0 Tc Tc19 1 0.50000000 0.98168213 0.59344554 1.0 Tc Tc20 1 0.50000000 0.56825960 0.73235343 1.0 Tc Tc21 1 0.50000000 0.43209340 0.26739818 1.0 Tc Tc22 1 0.50000000 0.06917833 0.76725319 1.0 B B23 1 0.50000000 0.60609141 0.49352762 1.0 B B24 1 0.50000000 0.39576553 0.50592404 1.0 B B25 1 0.50000000 0.10352189 0.00617937 1.0 B B26 1 0.50000000 0.89427842 0.99522822 1.0 B B27 1 0.00000000 0.60931125 0.83198484 1.0 B B28 1 0.00000000 0.38854576 0.16718205 1.0 B B29 1 0.00000000 0.11004424 0.66742562 1.0 B B30 1 0.00000000 0.88838802 0.33553363 1.0 B B31 1 0.50000000 0.71803935 0.60283457 1.0 B B32 1 0.50000000 0.28481788 0.39772523 1.0 B B33 1 0.50000000 0.21656594 0.89797678 1.0 B B34 1 0.50000000 0.78040468 0.10072608 1.0 Rh Rh35 1 0.50000000 0.93068429 0.23256308 1.0