# generated using pymatgen data_Nd2MoP4Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99195075 _cell_length_b 11.22941365 _cell_length_c 12.83407095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2MoP4Rh5 _chemical_formula_sum 'Nd6 Mo3 P12 Rh15' _cell_volume 575.31631539 _cell_formula_units_Z 3 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 0.51888513 1.0 Nd Nd1 1 0.50000000 0.00000000 0.48060046 1.0 Nd Nd2 1 0.50000000 0.81544866 0.20255822 1.0 Nd Nd3 1 0.50000000 0.18455134 0.20255822 1.0 Nd Nd4 1 0.00000000 0.68264751 0.79482554 1.0 Nd Nd5 1 0.00000000 0.31735249 0.79482554 1.0 Mo Mo6 1 0.50000000 0.50000000 0.15660722 1.0 Mo Mo7 1 0.00000000 0.00000000 0.84421293 1.0 Mo Mo8 1 0.00000000 0.50000000 0.98754390 1.0 P P9 1 0.50000000 0.50000000 0.87933379 1.0 P P10 1 0.00000000 0.00000000 0.12104277 1.0 P P11 1 0.50000000 0.50000000 0.33984920 1.0 P P12 1 0.00000000 0.00000000 0.65998295 1.0 P P13 1 0.50000000 0.30820490 0.61718468 1.0 P P14 1 0.50000000 0.69179510 0.61718468 1.0 P P15 1 0.00000000 0.18902048 0.38336939 1.0 P P16 1 0.00000000 0.81097952 0.38336939 1.0 P P17 1 0.50000000 0.84838058 0.89128461 1.0 P P18 1 0.50000000 0.15161942 0.89128461 1.0 P P19 1 0.00000000 0.65033317 0.10952040 1.0 P P20 1 0.00000000 0.34966683 0.10952040 1.0 Rh Rh21 1 0.50000000 0.50000000 0.69298431 1.0 Rh Rh22 1 0.00000000 0.00000000 0.30231576 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01090382 1.0 Rh Rh24 1 0.50000000 0.32781457 0.98568083 1.0 Rh Rh25 1 0.50000000 0.67218543 0.98568083 1.0 Rh Rh26 1 0.00000000 0.16545902 0.01339723 1.0 Rh Rh27 1 0.00000000 0.83454098 0.01339723 1.0 Rh Rh28 1 0.50000000 0.28893492 0.43209284 1.0 Rh Rh29 1 0.50000000 0.71106508 0.43209284 1.0 Rh Rh30 1 0.00000000 0.20888234 0.57010440 1.0 Rh Rh31 1 0.00000000 0.79111766 0.57010440 1.0 Rh Rh32 1 0.50000000 0.87798571 0.70975077 1.0 Rh Rh33 1 0.50000000 0.12201429 0.70975077 1.0 Rh Rh34 1 0.00000000 0.62358560 0.29309896 1.0 Rh Rh35 1 0.00000000 0.37641440 0.29309896 1.0