# generated using pymatgen data_Tb3Nb(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94174884 _cell_length_b 11.08813565 _cell_length_c 12.77928138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Nb(P3Rh4)2 _chemical_formula_sum 'Tb6 Nb2 P12 Rh16' _cell_volume 558.53952510 _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 0.52088005 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47911995 1.0 Tb Tb2 1 0.50000000 0.81869988 0.20276884 1.0 Tb Tb3 1 0.50000000 0.18130012 0.20276884 1.0 Tb Tb4 1 0.00000000 0.68130012 0.79723116 1.0 Tb Tb5 1 0.00000000 0.31869988 0.79723116 1.0 Nb Nb6 1 0.50000000 0.50000000 0.15807864 1.0 Nb Nb7 1 0.00000000 0.00000000 0.84192136 1.0 P P8 1 0.50000000 0.50000000 0.87656567 1.0 P P9 1 0.00000000 0.00000000 0.12343433 1.0 P P10 1 0.50000000 0.50000000 0.34922259 1.0 P P11 1 0.00000000 0.00000000 0.65077741 1.0 P P12 1 0.50000000 0.31328271 0.61676560 1.0 P P13 1 0.50000000 0.68671729 0.61676560 1.0 P P14 1 0.00000000 0.18671729 0.38323440 1.0 P P15 1 0.00000000 0.81328271 0.38323440 1.0 P P16 1 0.50000000 0.84536798 0.88788884 1.0 P P17 1 0.50000000 0.15463202 0.88788884 1.0 P P18 1 0.00000000 0.65463202 0.11211116 1.0 P P19 1 0.00000000 0.34536798 0.11211116 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69791168 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30208832 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98762337 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01237663 1.0 Rh Rh24 1 0.50000000 0.33134743 0.98417184 1.0 Rh Rh25 1 0.50000000 0.66865257 0.98417184 1.0 Rh Rh26 1 0.00000000 0.16865257 0.01582816 1.0 Rh Rh27 1 0.00000000 0.83134743 0.01582816 1.0 Rh Rh28 1 0.50000000 0.29313550 0.43223662 1.0 Rh Rh29 1 0.50000000 0.70686450 0.43223662 1.0 Rh Rh30 1 0.00000000 0.20686450 0.56776338 1.0 Rh Rh31 1 0.00000000 0.79313550 0.56776338 1.0 Rh Rh32 1 0.50000000 0.87408359 0.70666415 1.0 Rh Rh33 1 0.50000000 0.12591641 0.70666415 1.0 Rh Rh34 1 0.00000000 0.62591641 0.29333585 1.0 Rh Rh35 1 0.00000000 0.37408359 0.29333585 1.0