# generated using pymatgen data_Nd5Ho3(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95050155 _cell_length_b 12.69392170 _cell_length_c 13.12916082 _cell_angle_alpha 81.07004885 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Ho3(P7Ir8)2 _chemical_formula_sum 'Nd5 Ho3 P14 Ir16' _cell_volume 650.41224620 _cell_formula_units_Z 1 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 0.25000000 0.51866540 0.29336325 1.0 Nd Nd1 1 0.75000000 0.71967319 0.89823416 1.0 Nd Nd2 1 0.25000000 0.10577854 0.78912709 1.0 Nd Nd3 1 0.75000000 0.89507568 0.21031163 1.0 Nd Nd4 1 0.25000000 0.28040022 0.10098943 1.0 Ho Ho5 1 0.75000000 0.79055450 0.56095387 1.0 Ho Ho6 1 0.25000000 0.20885175 0.43957617 1.0 Ho Ho7 1 0.75000000 0.48091225 0.70613966 1.0 P P8 1 0.25000000 0.90899839 0.41225684 1.0 P P9 1 0.75000000 0.47045295 0.12713172 1.0 P P10 1 0.25000000 0.52972639 0.86959011 1.0 P P11 1 0.75000000 0.09127537 0.58927922 1.0 P P12 1 0.25000000 0.74274853 0.08287042 1.0 P P13 1 0.75000000 0.25789660 0.91641360 1.0 P P14 1 0.75000000 0.15597022 0.28395977 1.0 P P15 1 0.25000000 0.84230993 0.71616442 1.0 P P16 1 0.25000000 0.05289121 0.09977934 1.0 P P17 1 0.75000000 0.94738653 0.89989054 1.0 P P18 1 0.25000000 0.31625734 0.68779340 1.0 P P19 1 0.75000000 0.68608732 0.31372592 1.0 P P20 1 0.25000000 0.60920161 0.56454752 1.0 P P21 1 0.75000000 0.38806078 0.43793273 1.0 Ir Ir22 1 0.25000000 0.98964439 0.57579762 1.0 Ir Ir23 1 0.75000000 0.01095966 0.42499053 1.0 Ir Ir24 1 0.25000000 0.66109504 0.72575807 1.0 Ir Ir25 1 0.75000000 0.33579435 0.27342893 1.0 Ir Ir26 1 0.25000000 0.54927035 0.04903753 1.0 Ir Ir27 1 0.75000000 0.45163465 0.94740855 1.0 Ir Ir28 1 0.25000000 0.06272634 0.27417758 1.0 Ir Ir29 1 0.75000000 0.93629448 0.72599811 1.0 Ir Ir30 1 0.25000000 0.42239519 0.52603799 1.0 Ir Ir31 1 0.75000000 0.57775747 0.47800315 1.0 Ir Ir32 1 0.25000000 0.91578020 0.99792197 1.0 Ir Ir33 1 0.75000000 0.08483852 0.00147663 1.0 Ir Ir34 1 0.25000000 0.73035434 0.39868069 1.0 Ir Ir35 1 0.75000000 0.27021160 0.60330057 1.0 Ir Ir36 1 0.25000000 0.34349038 0.85662140 1.0 Ir Ir37 1 0.75000000 0.65857934 0.14132889 1.0