# generated using pymatgen data_Tb16Sc4Ir7Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.73802757 _cell_length_b 10.73802375 _cell_length_c 6.28706816 _cell_angle_alpha 90.03219162 _cell_angle_beta 90.03217973 _cell_angle_gamma 89.97771461 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb16Sc4Ir7Rh5 _chemical_formula_sum 'Tb16 Sc4 Ir7 Rh5' _cell_volume 724.93133640 _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 0.28595243 0.08547503 0.38385961 1.0 Tb Tb1 1 0.28670823 0.91422479 0.88283550 1.0 Tb Tb2 1 0.71313902 0.08617447 0.88343689 1.0 Tb Tb3 1 0.71291142 0.91216259 0.38346157 1.0 Tb Tb4 1 0.58610373 0.78625009 0.88338176 1.0 Tb Tb5 1 0.58409708 0.21390301 0.38300529 1.0 Tb Tb6 1 0.41351916 0.78631300 0.38350650 1.0 Tb Tb7 1 0.41401608 0.21357663 0.88312411 1.0 Tb Tb8 1 0.21374775 0.41389546 0.61661970 1.0 Tb Tb9 1 0.21368579 0.58648207 0.11650001 1.0 Tb Tb10 1 0.78609652 0.41590439 0.11699425 1.0 Tb Tb11 1 0.78642221 0.58598406 0.61687681 1.0 Tb Tb12 1 0.91452497 0.71405078 0.11613819 1.0 Tb Tb13 1 0.91382385 0.28686205 0.61656448 1.0 Tb Tb14 1 0.08577445 0.71329335 0.61715957 1.0 Tb Tb15 1 0.08783672 0.28708736 0.11653548 1.0 Sc Sc16 1 0.00000100 0.99923377 0.50041259 1.0 Sc Sc17 1 0.00076803 0.99999822 0.99958052 1.0 Sc Sc18 1 0.49999084 0.49984987 0.99979930 1.0 Sc Sc19 1 0.50014977 0.50000901 0.50020651 1.0 Ir Ir20 1 0.85186519 0.85299669 0.75052207 1.0 Ir Ir21 1 0.14700122 0.14813744 0.74946873 1.0 Ir Ir22 1 0.14780363 0.85220050 0.25000094 1.0 Ir Ir23 1 0.64888307 0.35111618 0.75000014 1.0 Ir Ir24 1 0.64794747 0.64795850 0.25032334 1.0 Ir Ir25 1 0.35204256 0.35205259 0.24967955 1.0 Ir Ir26 1 0.35202806 0.64796987 0.75000093 1.0 Rh Rh27 1 0.85176800 0.14823145 0.24999891 1.0 Rh Rh28 1 0.50079003 0.00007081 0.12865273 1.0 Rh Rh29 1 0.50058630 0.99990544 0.62797221 1.0 Rh Rh30 1 0.00009216 0.49941755 0.87203036 1.0 Rh Rh31 1 0.99992728 0.49921298 0.37134948 1.0