# generated using pymatgen data_Tb6P13Ir20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.26715010 _cell_length_b 13.26714812 _cell_length_c 3.96800681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999762 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6P13Ir20 _chemical_formula_sum 'Tb6 P13 Ir20' _cell_volume 604.86474401 _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 0.52544833 0.71654132 0.24897869 1.0 Tb Tb1 1 0.28345868 0.80890700 0.24897869 1.0 Tb Tb2 1 0.19109300 0.47455167 0.24897869 1.0 Tb Tb3 1 0.47455167 0.28345868 0.75102131 1.0 Tb Tb4 1 0.71654132 0.19109300 0.75102131 1.0 Tb Tb5 1 0.80890700 0.52544833 0.75102131 1.0 P P6 1 0.52652871 0.14011196 0.25006672 1.0 P P7 1 0.85988804 0.38641675 0.25006672 1.0 P P8 1 0.61358325 0.47347129 0.25006672 1.0 P P9 1 0.94343733 0.71076079 0.25987664 1.0 P P10 1 0.28923921 0.23267654 0.25987664 1.0 P P11 1 0.76732346 0.05656267 0.25987664 1.0 P P12 1 0.38641675 0.52652871 0.74993328 1.0 P P13 1 0.47347129 0.85988804 0.74993328 1.0 P P14 1 0.14011196 0.61358325 0.74993328 1.0 P P15 1 0.71076079 0.76732346 0.74012336 1.0 P P16 1 0.23267654 0.94343733 0.74012336 1.0 P P17 1 0.05656267 0.28923921 0.74012336 1.0 P P18 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir19 1 0.33333300 0.66666700 0.74914601 1.0 Ir Ir20 1 0.91824758 0.24751328 0.24939219 1.0 Ir Ir21 1 0.75248672 0.67073331 0.24939219 1.0 Ir Ir22 1 0.32926669 0.08175242 0.24939219 1.0 Ir Ir23 1 0.43480578 0.01822446 0.75049875 1.0 Ir Ir24 1 0.98177554 0.41658232 0.75049875 1.0 Ir Ir25 1 0.58341768 0.56519422 0.75049875 1.0 Ir Ir26 1 0.66666700 0.33333300 0.25085399 1.0 Ir Ir27 1 0.09839468 0.18582588 0.25470708 1.0 Ir Ir28 1 0.81417412 0.91256881 0.25470708 1.0 Ir Ir29 1 0.08743119 0.90160532 0.25470708 1.0 Ir Ir30 1 0.01822446 0.58341768 0.24950125 1.0 Ir Ir31 1 0.41658232 0.43480578 0.24950125 1.0 Ir Ir32 1 0.56519422 0.98177554 0.24950125 1.0 Ir Ir33 1 0.67073331 0.91824758 0.75060781 1.0 Ir Ir34 1 0.08175242 0.75248672 0.75060781 1.0 Ir Ir35 1 0.24751328 0.32926669 0.75060781 1.0 Ir Ir36 1 0.90160532 0.81417412 0.74529292 1.0 Ir Ir37 1 0.18582588 0.08743119 0.74529292 1.0 Ir Ir38 1 0.91256881 0.09839468 0.74529292 1.0