# generated using pymatgen data_Nd4P7Ir7Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97516476 _cell_length_b 12.77569727 _cell_length_c 13.17489096 _cell_angle_alpha 80.80476490 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4P7Ir7Rh _chemical_formula_sum 'Nd8 P14 Ir14 Rh2' _cell_volume 660.49529973 _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 0.75000000 0.79072074 0.56088068 1.0 Nd Nd1 1 0.25000000 0.20927926 0.43911932 1.0 Nd Nd2 1 0.75000000 0.48177780 0.70708278 1.0 Nd Nd3 1 0.25000000 0.51822220 0.29291722 1.0 Nd Nd4 1 0.75000000 0.72031511 0.89770251 1.0 Nd Nd5 1 0.25000000 0.10509358 0.79037424 1.0 Nd Nd6 1 0.75000000 0.89490642 0.20962576 1.0 Nd Nd7 1 0.25000000 0.27968489 0.10229749 1.0 P P8 1 0.25000000 0.91068166 0.40843067 1.0 P P9 1 0.75000000 0.47137164 0.12738611 1.0 P P10 1 0.25000000 0.52862836 0.87261389 1.0 P P11 1 0.75000000 0.08931834 0.59156933 1.0 P P12 1 0.25000000 0.74247485 0.08226809 1.0 P P13 1 0.75000000 0.25752515 0.91773191 1.0 P P14 1 0.75000000 0.15526424 0.28127926 1.0 P P15 1 0.25000000 0.84473576 0.71872074 1.0 P P16 1 0.25000000 0.05265843 0.09890516 1.0 P P17 1 0.75000000 0.94734157 0.90109484 1.0 P P18 1 0.25000000 0.31376087 0.68886446 1.0 P P19 1 0.75000000 0.68623913 0.31113554 1.0 P P20 1 0.25000000 0.60874924 0.56168201 1.0 P P21 1 0.75000000 0.39125076 0.43831799 1.0 Ir Ir22 1 0.25000000 0.66311959 0.72874578 1.0 Ir Ir23 1 0.75000000 0.33688041 0.27125422 1.0 Ir Ir24 1 0.25000000 0.54941810 0.04956918 1.0 Ir Ir25 1 0.75000000 0.45058190 0.95043082 1.0 Ir Ir26 1 0.25000000 0.06119695 0.27320504 1.0 Ir Ir27 1 0.75000000 0.93880305 0.72679496 1.0 Ir Ir28 1 0.25000000 0.42311115 0.52719754 1.0 Ir Ir29 1 0.75000000 0.57688885 0.47280246 1.0 Ir Ir30 1 0.25000000 0.91592242 0.99834679 1.0 Ir Ir31 1 0.75000000 0.08407758 0.00165321 1.0 Ir Ir32 1 0.25000000 0.73016546 0.39374038 1.0 Ir Ir33 1 0.75000000 0.26983454 0.60625962 1.0 Ir Ir34 1 0.25000000 0.34168782 0.85998532 1.0 Ir Ir35 1 0.75000000 0.65831218 0.14001468 1.0 Rh Rh36 1 0.25000000 0.98749453 0.57559363 1.0 Rh Rh37 1 0.75000000 0.01250547 0.42440637 1.0