# generated using pymatgen data_Nb4Fe3Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95000300 _cell_length_b 12.93705400 _cell_length_c 15.55162500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Fe3Si5 _chemical_formula_sum 'Nb24 Fe18 Si30' _cell_volume 995.90205502 _cell_formula_units_Z 6 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 Nb Nb0 1 0.50000000 0.39416500 0.29270600 1.0 Nb Nb1 1 0.00000000 0.89416500 0.70729400 1.0 Nb Nb2 1 0.50000000 0.48558300 0.09795100 1.0 Nb Nb3 1 0.00000000 0.98558300 0.90204900 1.0 Nb Nb4 1 0.00000000 0.17317500 0.01981700 1.0 Nb Nb5 1 0.50000000 0.67317500 0.98018300 1.0 Nb Nb6 1 0.50000000 0.30034000 0.99164500 1.0 Nb Nb7 1 0.00000000 0.80034000 0.00835500 1.0 Nb Nb8 1 0.50000000 0.16215800 0.30556400 1.0 Nb Nb9 1 0.00000000 0.66215800 0.69443600 1.0 Nb Nb10 1 0.50000000 0.36738400 0.81103100 1.0 Nb Nb11 1 0.00000000 0.86738400 0.18896900 1.0 Nb Nb12 1 0.00000000 0.45965800 0.53989200 1.0 Nb Nb13 1 0.50000000 0.95965800 0.46010800 1.0 Nb Nb14 1 0.00000000 0.10135400 0.41956300 1.0 Nb Nb15 1 0.50000000 0.60135400 0.58043700 1.0 Nb Nb16 1 0.50000000 0.32781500 0.59649300 1.0 Nb Nb17 1 0.00000000 0.82781500 0.40350700 1.0 Nb Nb18 1 0.00000000 0.09793600 0.19573900 1.0 Nb Nb19 1 0.50000000 0.59793600 0.80426100 1.0 Nb Nb20 1 0.00000000 0.49086500 0.20951100 1.0 Nb Nb21 1 0.50000000 0.99086500 0.79048900 1.0 Nb Nb22 1 0.00000000 0.29211300 0.71090100 1.0 Nb Nb23 1 0.50000000 0.79211300 0.28909900 1.0 Fe Fe24 1 0.25008300 0.17786100 0.85324800 1.0 Fe Fe25 1 0.74991700 0.17786100 0.85324800 1.0 Fe Fe26 1 0.24991700 0.67786100 0.14675200 1.0 Fe Fe27 1 0.75008300 0.67786100 0.14675200 1.0 Fe Fe28 1 0.25060500 0.30165500 0.42854900 1.0 Fe Fe29 1 0.74939500 0.30165500 0.42854900 1.0 Fe Fe30 1 0.24939500 0.80165500 0.57145100 1.0 Fe Fe31 1 0.75060500 0.80165500 0.57145100 1.0 Fe Fe32 1 0.24693600 0.09921400 0.61100900 1.0 Fe Fe33 1 0.75306400 0.09921400 0.61100900 1.0 Fe Fe34 1 0.25306400 0.59921400 0.38899100 1.0 Fe Fe35 1 0.74693600 0.59921400 0.38899100 1.0 Fe Fe36 1 0.00000000 0.48281100 0.81711200 1.0 Fe Fe37 1 0.50000000 0.98281100 0.18288800 1.0 Fe Fe38 1 0.25316100 0.29758100 0.16462800 1.0 Fe Fe39 1 0.74683900 0.29758100 0.16462800 1.0 Fe Fe40 1 0.24683900 0.79758100 0.83537200 1.0 Fe Fe41 1 0.75316100 0.79758100 0.83537200 1.0 Si Si42 1 0.00000000 0.26867000 0.29558200 1.0 Si Si43 1 0.50000000 0.76867000 0.70441800 1.0 Si Si44 1 0.00000000 0.24537100 0.54820700 1.0 Si Si45 1 0.50000000 0.74537100 0.45179300 1.0 Si Si46 1 0.00000000 0.08822300 0.74975300 1.0 Si Si47 1 0.50000000 0.58822300 0.25024700 1.0 Si Si48 1 0.25072800 0.47548300 0.68948300 1.0 Si Si49 1 0.74927200 0.47548300 0.68948300 1.0 Si Si50 1 0.24927200 0.97548300 0.31051700 1.0 Si Si51 1 0.75072800 0.97548300 0.31051700 1.0 Si Si52 1 0.50000000 0.45632700 0.45944800 1.0 Si Si53 1 0.00000000 0.95632700 0.54055200 1.0 Si Si54 1 0.50000000 0.18927400 0.72300500 1.0 Si Si55 1 0.00000000 0.68927400 0.27699500 1.0 Si Si56 1 0.50000000 0.08952800 0.95178300 1.0 Si Si57 1 0.00000000 0.58952800 0.04821700 1.0 Si Si58 1 0.50000000 0.15341800 0.12477900 1.0 Si Si59 1 0.00000000 0.65341800 0.87522100 1.0 Si Si60 1 0.50000000 0.16265900 0.48474500 1.0 Si Si61 1 0.00000000 0.66265900 0.51525500 1.0 Si Si62 1 0.00000000 0.44067000 0.37105600 1.0 Si Si63 1 0.50000000 0.94067000 0.62894400 1.0 Si Si64 1 0.00000000 0.32127600 0.88801600 1.0 Si Si65 1 0.50000000 0.82127600 0.11198400 1.0 Si Si66 1 0.00000000 0.38003900 0.06042600 1.0 Si Si67 1 0.50000000 0.88003900 0.93957400 1.0 Si Si68 1 0.26731400 0.48674900 0.93548700 1.0 Si Si69 1 0.73268600 0.48674900 0.93548700 1.0 Si Si70 1 0.23268600 0.98674900 0.06451300 1.0 Si Si71 1 0.76731400 0.98674900 0.06451300 1.0