# generated using pymatgen data_Tb5P12Ir11Ru8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.56847346 _cell_length_b 12.53932660 _cell_length_c 3.95483549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.04937257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5P12Ir11Ru8 _chemical_formula_sum 'Tb5 P12 Ir11 Ru8' _cell_volume 539.51002596 _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 0.66687421 0.33118384 0.00000000 1.0 Tb Tb1 1 0.33458355 0.66905930 0.00000000 1.0 Tb Tb2 1 0.81338822 0.00116797 0.50000000 1.0 Tb Tb3 1 0.18318407 0.18484223 0.50000000 1.0 Tb Tb4 1 0.99932338 0.81464061 0.50000000 1.0 P P5 1 0.63380114 0.99930449 0.00000000 1.0 P P6 1 0.36410801 0.36431607 0.00000000 1.0 P P7 1 0.00041178 0.63536574 0.00000000 1.0 P P8 1 0.68904295 0.51807012 0.50000000 1.0 P P9 1 0.82966398 0.30692074 0.50000000 1.0 P P10 1 0.31730277 0.83425412 0.50000000 1.0 P P11 1 0.51960338 0.69188952 0.50000000 1.0 P P12 1 0.17924812 0.99994293 0.00000000 1.0 P P13 1 0.81862694 0.81874875 0.00000000 1.0 P P14 1 0.99646360 0.18151770 0.00000000 1.0 P P15 1 0.47987302 0.16741702 0.50000000 1.0 P P16 1 0.17032856 0.48210751 0.50000000 1.0 Ir Ir17 1 0.62413006 0.80345814 0.00000000 1.0 Ir Ir18 1 0.18307678 0.37702925 0.00000000 1.0 Ir Ir19 1 0.37466939 0.18121673 0.00000000 1.0 Ir Ir20 1 0.19228740 0.81880004 0.00000000 1.0 Ir Ir21 1 0.80573824 0.62289925 0.00000000 1.0 Ir Ir22 1 0.87021410 0.50647396 0.50000000 1.0 Ir Ir23 1 0.49227937 0.36069449 0.50000000 1.0 Ir Ir24 1 0.63647322 0.12858247 0.50000000 1.0 Ir Ir25 1 0.13229731 0.64055389 0.50000000 1.0 Ir Ir26 1 0.36308325 0.49276963 0.50000000 1.0 Ir Ir27 1 0.99887174 0.00045555 0.00000000 1.0 Ru Ru28 1 0.51142580 0.87185987 0.50000000 1.0 Ru Ru29 1 0.71149651 0.70987953 0.50000000 1.0 Ru Ru30 1 0.00231142 0.29009503 0.50000000 1.0 Ru Ru31 1 0.45012352 0.99869181 0.00000000 1.0 Ru Ru32 1 0.54699395 0.54436578 0.00000000 1.0 Ru Ru33 1 0.00301525 0.45534221 0.00000000 1.0 Ru Ru34 1 0.81855880 0.19641435 0.00000000 1.0 Ru Ru35 1 0.28712521 0.99966435 0.50000000 1.0