# generated using pymatgen data_Tb5Ti2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.53290897 _cell_length_b 12.73655191 _cell_length_c 3.95857436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.47248733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Ti2P12Ir17 _chemical_formula_sum 'Tb5 Ti2 P12 Ir17' _cell_volume 550.11977892 _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 0.32969129 0.65979184 0.50000000 1.0 Tb Tb1 1 0.66990045 0.34020816 0.50000000 1.0 Tb Tb2 1 0.99998168 0.81255671 0.00000000 1.0 Tb Tb3 1 0.18742497 0.18744329 0.00000000 1.0 Tb Tb4 1 0.81335617 0.00000000 0.00000000 1.0 Ti Ti5 1 0.99770978 0.44590669 0.50000000 1.0 Ti Ti6 1 0.55180210 0.55409331 0.50000000 1.0 P P7 1 0.00153429 0.63915709 0.50000000 1.0 P P8 1 0.36237820 0.36084291 0.50000000 1.0 P P9 1 0.64453881 0.00000000 0.50000000 1.0 P P10 1 0.51491360 0.68320533 0.00000000 1.0 P P11 1 0.30792093 0.82310902 0.00000000 1.0 P P12 1 0.16213962 0.47958980 0.00000000 1.0 P P13 1 0.48481091 0.17689098 0.00000000 1.0 P P14 1 0.68254882 0.52041020 0.00000000 1.0 P P15 1 0.83170727 0.31679467 0.00000000 1.0 P P16 1 0.99980143 0.17516932 0.50000000 1.0 P P17 1 0.82463111 0.82483068 0.50000000 1.0 P P18 1 0.18172099 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50399315 0.86352001 0.00000000 1.0 Ir Ir20 1 0.12632761 0.63999129 0.00000000 1.0 Ir Ir21 1 0.35547741 0.49357086 0.00000000 1.0 Ir Ir22 1 0.48633631 0.36000871 0.00000000 1.0 Ir Ir23 1 0.86190855 0.50642914 0.00000000 1.0 Ir Ir24 1 0.64047513 0.13647999 0.00000000 1.0 Ir Ir25 1 0.46393160 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99690509 0.28145484 0.00000000 1.0 Ir Ir27 1 0.71545225 0.71854516 0.00000000 1.0 Ir Ir28 1 0.29085526 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62232545 0.80543009 0.50000000 1.0 Ir Ir30 1 0.20303897 0.82337617 0.50000000 1.0 Ir Ir31 1 0.17654265 0.36872369 0.50000000 1.0 Ir Ir32 1 0.37966380 0.17662383 0.50000000 1.0 Ir Ir33 1 0.80781896 0.63127631 0.50000000 1.0 Ir Ir34 1 0.81689535 0.19456991 0.50000000 1.0 Ir Ir35 1 0.00353704 0.00000000 0.50000000 1.0