# generated using pymatgen data_Tb5Zr2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60037678 _cell_length_b 12.84184149 _cell_length_c 3.97194162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.37992542 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Zr2P12Ir17 _chemical_formula_sum 'Tb5 Zr2 P12 Ir17' _cell_volume 560.04658007 _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 0.32984140 0.66168304 0.50000000 1.0 Tb Tb1 1 0.66815936 0.33831696 0.50000000 1.0 Tb Tb2 1 0.00069699 0.81672797 0.00000000 1.0 Tb Tb3 1 0.18396902 0.18327203 0.00000000 1.0 Tb Tb4 1 0.81383937 1.00000000 0.00000000 1.0 Zr Zr5 1 0.99697980 0.44572607 0.50000000 1.0 Zr Zr6 1 0.55125372 0.55427393 0.50000000 1.0 P P7 1 0.00655285 0.65221457 0.50000000 1.0 P P8 1 0.35433729 0.34778543 0.50000000 1.0 P P9 1 0.64522843 0.00000000 0.50000000 1.0 P P10 1 0.51581773 0.68798145 0.00000000 1.0 P P11 1 0.30906324 0.82518512 0.00000000 1.0 P P12 1 0.16481013 0.48031215 0.00000000 1.0 P P13 1 0.48387713 0.17481488 0.00000000 1.0 P P14 1 0.68449798 0.51968785 0.00000000 1.0 P P15 1 0.82783628 0.31201855 0.00000000 1.0 P P16 1 0.99949219 0.17401563 0.50000000 1.0 P P17 1 0.82547656 0.82598437 0.50000000 1.0 P P18 1 0.18195583 1.00000000 0.50000000 1.0 Ir Ir19 1 0.50434190 0.86518958 0.00000000 1.0 Ir Ir20 1 0.12655192 0.64324064 0.00000000 1.0 Ir Ir21 1 0.35647717 0.49809597 0.00000000 1.0 Ir Ir22 1 0.48331228 0.35675936 0.00000000 1.0 Ir Ir23 1 0.85838220 0.50190403 0.00000000 1.0 Ir Ir24 1 0.63915332 0.13481042 0.00000000 1.0 Ir Ir25 1 0.46589286 1.00000000 0.50000000 1.0 Ir Ir26 1 0.99703016 0.27806039 0.00000000 1.0 Ir Ir27 1 0.71896977 0.72193961 0.00000000 1.0 Ir Ir28 1 0.28966834 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62361494 0.80824487 0.50000000 1.0 Ir Ir30 1 0.20488249 0.82606485 0.50000000 1.0 Ir Ir31 1 0.17808003 0.36646482 0.50000000 1.0 Ir Ir32 1 0.37881664 0.17393515 0.50000000 1.0 Ir Ir33 1 0.81161521 0.63353518 0.50000000 1.0 Ir Ir34 1 0.81537108 0.19175513 0.50000000 1.0 Ir Ir35 1 0.00415840 1.00000000 0.50000000 1.0