# generated using pymatgen data_Tb5Nb2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.51680410 _cell_length_b 12.72942764 _cell_length_c 3.99551134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.44897777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Nb2P12Ir17 _chemical_formula_sum 'Tb5 Nb2 P12 Ir17' _cell_volume 554.35766441 _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 0.32936452 0.66061896 0.50000000 1.0 Tb Tb1 1 0.66874556 0.33938104 0.50000000 1.0 Tb Tb2 1 0.99987373 0.81365952 0.00000000 1.0 Tb Tb3 1 0.18621421 0.18634048 0.00000000 1.0 Tb Tb4 1 0.81529318 1.00000000 0.00000000 1.0 Nb Nb5 1 0.99709632 0.44975644 0.50000000 1.0 Nb Nb6 1 0.54733989 0.55024356 0.50000000 1.0 P P7 1 0.00307140 0.64165592 0.50000000 1.0 P P8 1 0.36141548 0.35834408 0.50000000 1.0 P P9 1 0.64579583 0.00000000 0.50000000 1.0 P P10 1 0.51483463 0.68410655 0.00000000 1.0 P P11 1 0.30818327 0.82382727 0.00000000 1.0 P P12 1 0.16279323 0.48032207 0.00000000 1.0 P P13 1 0.48435600 0.17617273 0.00000000 1.0 P P14 1 0.68247117 0.51967793 0.00000000 1.0 P P15 1 0.83072808 0.31589345 0.00000000 1.0 P P16 1 0.00023153 0.17530529 0.50000000 1.0 P P17 1 0.82492524 0.82469471 0.50000000 1.0 P P18 1 0.18141457 1.00000000 0.50000000 1.0 Ir Ir19 1 0.50475243 0.86383081 0.00000000 1.0 Ir Ir20 1 0.12699493 0.64085000 0.00000000 1.0 Ir Ir21 1 0.35488211 0.49451993 0.00000000 1.0 Ir Ir22 1 0.48614592 0.35915000 0.00000000 1.0 Ir Ir23 1 0.86036419 0.50548007 0.00000000 1.0 Ir Ir24 1 0.64092262 0.13616919 0.00000000 1.0 Ir Ir25 1 0.46551824 1.00000000 0.50000000 1.0 Ir Ir26 1 0.99717453 0.28191838 0.00000000 1.0 Ir Ir27 1 0.71525514 0.71808162 0.00000000 1.0 Ir Ir28 1 0.29109019 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62399764 0.80695950 0.50000000 1.0 Ir Ir30 1 0.20303303 0.82416896 0.50000000 1.0 Ir Ir31 1 0.17733288 0.36814671 0.50000000 1.0 Ir Ir32 1 0.37886407 0.17583104 0.50000000 1.0 Ir Ir33 1 0.80918417 0.63185329 0.50000000 1.0 Ir Ir34 1 0.81703814 0.19304050 0.50000000 1.0 Ir Ir35 1 0.00330094 1.00000000 0.50000000 1.0