# generated using pymatgen data_Tb3Nb(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01210999 _cell_length_b 11.08624071 _cell_length_c 12.78301766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Nb(P3Ir4)2 _chemical_formula_sum 'Tb6 Nb2 P12 Ir16' _cell_volume 568.57861849 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52169354 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47830646 1.0 Tb Tb2 1 0.50000000 0.81969337 0.20334212 1.0 Tb Tb3 1 0.50000000 0.18030663 0.20334212 1.0 Tb Tb4 1 0.00000000 0.68030663 0.79665788 1.0 Tb Tb5 1 0.00000000 0.31969337 0.79665788 1.0 Nb Nb6 1 0.50000000 0.50000000 0.15850937 1.0 Nb Nb7 1 0.00000000 0.00000000 0.84149063 1.0 P P8 1 0.50000000 0.50000000 0.87458737 1.0 P P9 1 0.00000000 0.00000000 0.12541263 1.0 P P10 1 0.50000000 0.50000000 0.34972621 1.0 P P11 1 0.00000000 0.00000000 0.65027379 1.0 P P12 1 0.50000000 0.31314145 0.61694534 1.0 P P13 1 0.50000000 0.68685855 0.61694534 1.0 P P14 1 0.00000000 0.18685855 0.38305466 1.0 P P15 1 0.00000000 0.81314145 0.38305466 1.0 P P16 1 0.50000000 0.84473372 0.88577267 1.0 P P17 1 0.50000000 0.15526628 0.88577267 1.0 P P18 1 0.00000000 0.65526628 0.11422733 1.0 P P19 1 0.00000000 0.34473372 0.11422733 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69609512 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30390488 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99386137 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00613863 1.0 Ir Ir24 1 0.50000000 0.33092625 0.97953258 1.0 Ir Ir25 1 0.50000000 0.66907375 0.97953258 1.0 Ir Ir26 1 0.00000000 0.16907375 0.02046742 1.0 Ir Ir27 1 0.00000000 0.83092625 0.02046742 1.0 Ir Ir28 1 0.50000000 0.29713282 0.43262031 1.0 Ir Ir29 1 0.50000000 0.70286718 0.43262031 1.0 Ir Ir30 1 0.00000000 0.20286718 0.56737969 1.0 Ir Ir31 1 0.00000000 0.79713282 0.56737969 1.0 Ir Ir32 1 0.50000000 0.87218683 0.70834722 1.0 Ir Ir33 1 0.50000000 0.12781317 0.70834722 1.0 Ir Ir34 1 0.00000000 0.62781317 0.29165278 1.0 Ir Ir35 1 0.00000000 0.37218683 0.29165278 1.0