# generated using pymatgen data_Tb2Nb3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00133049 _cell_length_b 9.57427308 _cell_length_c 9.57434118 _cell_angle_alpha 120.00075740 _cell_angle_beta 89.99993871 _cell_angle_gamma 89.99994242 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Nb3P7Ir9 _chemical_formula_sum 'Tb2 Nb3 P7 Ir9' _cell_volume 317.64823784 _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 0.26192835 0.66667300 0.33334082 1.0 Tb Tb1 1 0.76196277 0.33333592 0.66666321 1.0 Nb Nb2 1 0.76187340 0.09309490 0.87022643 1.0 Nb Nb3 1 0.76187488 0.12976643 0.22286473 1.0 Nb Nb4 1 0.76187884 0.77712260 0.90689722 1.0 P P5 1 0.26214355 0.99999453 0.99999689 1.0 P P6 1 0.76191421 0.87391724 0.58970256 1.0 P P7 1 0.76191704 0.41030614 0.28422300 1.0 P P8 1 0.76191672 0.71579050 0.12609382 1.0 P P9 1 0.26198550 0.11874762 0.41854592 1.0 P P10 1 0.26198635 0.58144456 0.70019182 1.0 P P11 1 0.26198766 0.29980290 0.88124598 1.0 Ir Ir12 1 0.26187283 0.88945691 0.16382809 1.0 Ir Ir13 1 0.26186653 0.83616293 0.72563678 1.0 Ir Ir14 1 0.26186309 0.27436750 0.11053577 1.0 Ir Ir15 1 0.76184327 0.60992342 0.55112578 1.0 Ir Ir16 1 0.76183369 0.44889331 0.05881301 1.0 Ir Ir17 1 0.76184492 0.94120132 0.39007820 1.0 Ir Ir18 1 0.26183600 0.36619602 0.44110372 1.0 Ir Ir19 1 0.26183751 0.55889773 0.92508392 1.0 Ir Ir20 1 0.26183490 0.07490550 0.63379933 1.0