# generated using pymatgen data_Nd3Zr(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97549261 _cell_length_b 11.26553316 _cell_length_c 12.99722353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Zr(P3Rh4)2 _chemical_formula_sum 'Nd6 Zr2 P12 Rh16' _cell_volume 582.09422245 _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 Nd Nd0 1 0.00000000 0.50000000 0.52269808 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47730192 1.0 Nd Nd2 1 0.50000000 0.82024755 0.20309593 1.0 Nd Nd3 1 0.50000000 0.17975245 0.20309593 1.0 Nd Nd4 1 0.00000000 0.67975245 0.79690407 1.0 Nd Nd5 1 0.00000000 0.32024755 0.79690407 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15681003 1.0 Zr Zr7 1 0.00000000 0.00000000 0.84318997 1.0 P P8 1 0.50000000 0.50000000 0.88117641 1.0 P P9 1 0.00000000 0.00000000 0.11882359 1.0 P P10 1 0.50000000 0.50000000 0.35568047 1.0 P P11 1 0.00000000 0.00000000 0.64431953 1.0 P P12 1 0.50000000 0.30988663 0.61536580 1.0 P P13 1 0.50000000 0.69011337 0.61536580 1.0 P P14 1 0.00000000 0.19011337 0.38463420 1.0 P P15 1 0.00000000 0.80988663 0.38463420 1.0 P P16 1 0.50000000 0.84276092 0.89027453 1.0 P P17 1 0.50000000 0.15723908 0.89027453 1.0 P P18 1 0.00000000 0.65723908 0.10972547 1.0 P P19 1 0.00000000 0.34276092 0.10972547 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70065423 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29934577 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98802394 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01197606 1.0 Rh Rh24 1 0.50000000 0.33171848 0.98928536 1.0 Rh Rh25 1 0.50000000 0.66828152 0.98928536 1.0 Rh Rh26 1 0.00000000 0.16828152 0.01071464 1.0 Rh Rh27 1 0.00000000 0.83171848 0.01071464 1.0 Rh Rh28 1 0.50000000 0.29187359 0.43241255 1.0 Rh Rh29 1 0.50000000 0.70812641 0.43241255 1.0 Rh Rh30 1 0.00000000 0.20812641 0.56758745 1.0 Rh Rh31 1 0.00000000 0.79187359 0.56758745 1.0 Rh Rh32 1 0.50000000 0.87484304 0.70572646 1.0 Rh Rh33 1 0.50000000 0.12515696 0.70572646 1.0 Rh Rh34 1 0.00000000 0.62515696 0.29427354 1.0 Rh Rh35 1 0.00000000 0.37484304 0.29427354 1.0