# generated using pymatgen data_Nd4Fe29Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41772000 _cell_length_b 6.45634331 _cell_length_c 12.80994212 _cell_angle_alpha 82.38218179 _cell_angle_beta 81.79251375 _cell_angle_gamma 82.36960944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Fe29Si5 _chemical_formula_sum 'Nd4 Fe29 Si5' _cell_volume 517.18820707 _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 0.34529800 0.34675900 0.67347000 1.0 Nd Nd1 1 0.34781000 0.34421900 0.17303200 1.0 Nd Nd2 1 0.65219000 0.65578100 0.82696800 1.0 Nd Nd3 1 0.65470200 0.65324100 0.32653000 1.0 Fe Fe4 1 0.28724600 0.70750600 0.99966600 1.0 Fe Fe5 1 0.28688700 0.71407500 0.49991400 1.0 Fe Fe6 1 0.99980500 0.29141100 0.85634800 1.0 Fe Fe7 1 0.00034100 0.28726500 0.35606600 1.0 Fe Fe8 1 0.71375900 0.00028300 0.64315300 1.0 Fe Fe9 1 0.71666700 0.99977700 0.14157300 1.0 Fe Fe10 1 0.99965900 0.71273500 0.64393400 1.0 Fe Fe11 1 0.00019500 0.70858900 0.14365200 1.0 Fe Fe12 1 0.28333300 0.00022300 0.85842700 1.0 Fe Fe13 1 0.28624100 0.99971700 0.35684700 1.0 Fe Fe14 1 0.71275400 0.29249400 0.00033400 1.0 Fe Fe15 1 0.71311300 0.28592500 0.50008600 1.0 Fe Fe16 1 0.66159800 0.66152300 0.57741800 1.0 Fe Fe17 1 0.66405000 0.66594300 0.07536800 1.0 Fe Fe18 1 0.15061400 0.66471600 0.83216700 1.0 Fe Fe19 1 0.15426800 0.66215200 0.33075600 1.0 Fe Fe20 1 0.65978000 0.16044600 0.82984900 1.0 Fe Fe21 1 0.66089900 0.15423200 0.33018100 1.0 Fe Fe22 1 0.33595000 0.33405700 0.92463200 1.0 Fe Fe23 1 0.33840200 0.33847700 0.42258200 1.0 Fe Fe24 1 0.84573200 0.33784800 0.66924400 1.0 Fe Fe25 1 0.84938600 0.33528400 0.16783300 1.0 Fe Fe26 1 0.33910100 0.84576800 0.66981900 1.0 Fe Fe27 1 0.34022000 0.83955400 0.17015100 1.0 Fe Fe28 1 0.99923500 0.99933800 0.75018800 1.0 Fe Fe29 1 0.00076500 0.00066200 0.24981200 1.0 Fe Fe30 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe31 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe32 1 0.00000000 0.50000000 0.50000000 1.0 Si Si33 1 0.00000000 0.50000000 0.00000000 1.0 Si Si34 1 0.10123400 0.10112500 0.55060400 1.0 Si Si35 1 0.10852300 0.08070200 0.05420400 1.0 Si Si36 1 0.89147700 0.91929800 0.94579600 1.0 Si Si37 1 0.89876600 0.89887500 0.44939600 1.0