# generated using pymatgen data_NbFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89682100 _cell_length_b 12.78502200 _cell_length_c 15.51798000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSi _chemical_formula_sum 'Nb24 Fe24 Si24' _cell_volume 971.51810057 _cell_formula_units_Z 24 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 0.00000000 0.97478100 0.30478100 1.0 Nb Nb1 1 0.50000000 0.47478100 0.69521900 1.0 Nb Nb2 1 0.00000000 0.29579200 0.10069200 1.0 Nb Nb3 1 0.50000000 0.79579200 0.89930800 1.0 Nb Nb4 1 0.00000000 0.76944700 0.46135000 1.0 Nb Nb5 1 0.50000000 0.26944700 0.53865000 1.0 Nb Nb6 1 0.00000000 0.48356900 0.97895000 1.0 Nb Nb7 1 0.50000000 0.98356900 0.02105000 1.0 Nb Nb8 1 0.00000000 0.41237200 0.58019100 1.0 Nb Nb9 1 0.50000000 0.91237200 0.41981000 1.0 Nb Nb10 1 0.00000000 0.79693300 0.79114300 1.0 Nb Nb11 1 0.50000000 0.29693300 0.20885700 1.0 Nb Nb12 1 0.00000000 0.40858700 0.80251800 1.0 Nb Nb13 1 0.50000000 0.90858700 0.19748200 1.0 Nb Nb14 1 0.00000000 0.11012400 0.99274800 1.0 Nb Nb15 1 0.50000000 0.61012400 0.00725200 1.0 Nb Nb16 1 0.00000000 0.13724600 0.59629900 1.0 Nb Nb17 1 0.50000000 0.63724600 0.40370100 1.0 Nb Nb18 1 0.00000000 0.17851700 0.81163400 1.0 Nb Nb19 1 0.50000000 0.67851700 0.18836600 1.0 Nb Nb20 1 0.00000000 0.20409400 0.29225000 1.0 Nb Nb21 1 0.50000000 0.70409400 0.70775000 1.0 Nb Nb22 1 0.00000000 0.60209700 0.28731900 1.0 Nb Nb23 1 0.50000000 0.10209700 0.71268100 1.0 Fe Fe24 1 0.75053700 0.61136800 0.57156900 1.0 Fe Fe25 1 0.74946300 0.11136800 0.42843100 1.0 Fe Fe26 1 0.25053700 0.11136800 0.42843100 1.0 Fe Fe27 1 0.24946300 0.61136800 0.57156900 1.0 Fe Fe28 1 0.74850300 0.99123800 0.85653400 1.0 Fe Fe29 1 0.75149700 0.49123800 0.14346600 1.0 Fe Fe30 1 0.24850300 0.49123800 0.14346600 1.0 Fe Fe31 1 0.25149700 0.99123800 0.85653400 1.0 Fe Fe32 1 0.74735200 0.91029300 0.61139100 1.0 Fe Fe33 1 0.75264800 0.41029300 0.38860900 1.0 Fe Fe34 1 0.24735200 0.41029300 0.38860900 1.0 Fe Fe35 1 0.25264800 0.91029300 0.61139100 1.0 Fe Fe36 1 0.75166900 0.60817800 0.83995700 1.0 Fe Fe37 1 0.74833100 0.10817800 0.16004300 1.0 Fe Fe38 1 0.25166900 0.10817800 0.16004300 1.0 Fe Fe39 1 0.24833100 0.60817800 0.83995700 1.0 Fe Fe40 1 0.00000000 0.79440200 0.19097700 1.0 Fe Fe41 1 0.50000000 0.29440200 0.80902300 1.0 Fe Fe42 1 0.76035900 0.29748300 0.94002600 1.0 Fe Fe43 1 0.73964100 0.79748300 0.05997400 1.0 Fe Fe44 1 0.26035900 0.79748300 0.05997400 1.0 Fe Fe45 1 0.23964100 0.29748300 0.94002600 1.0 Fe Fe46 1 0.00000000 0.70069200 0.95071100 1.0 Fe Fe47 1 0.50000000 0.20069200 0.04928900 1.0 Si Si48 1 0.74764200 0.78530900 0.31308600 1.0 Si Si49 1 0.75235800 0.28530900 0.68691400 1.0 Si Si50 1 0.24764200 0.28530900 0.68691400 1.0 Si Si51 1 0.25235800 0.78530900 0.31308600 1.0 Si Si52 1 0.00000000 0.64146800 0.10364900 1.0 Si Si53 1 0.50000000 0.14146800 0.89635100 1.0 Si Si54 1 0.00000000 0.55573600 0.45184800 1.0 Si Si55 1 0.50000000 0.05573600 0.54815200 1.0 Si Si56 1 0.00000000 0.57889000 0.70452800 1.0 Si Si57 1 0.50000000 0.07889000 0.29547200 1.0 Si Si58 1 0.00000000 0.89184200 0.95303300 1.0 Si Si59 1 0.50000000 0.39184200 0.04696700 1.0 Si Si60 1 0.00000000 0.97365300 0.48471200 1.0 Si Si61 1 0.50000000 0.47365300 0.51528800 1.0 Si Si62 1 0.00000000 0.39983900 0.24978300 1.0 Si Si63 1 0.50000000 0.89983900 0.75021700 1.0 Si Si64 1 0.00000000 0.26618900 0.45840500 1.0 Si Si65 1 0.50000000 0.76618900 0.54159500 1.0 Si Si66 1 0.00000000 0.95570100 0.11855200 1.0 Si Si67 1 0.50000000 0.45570100 0.88144800 1.0 Si Si68 1 0.00000000 0.75095800 0.62925700 1.0 Si Si69 1 0.50000000 0.25095800 0.37074300 1.0 Si Si70 1 0.00000000 0.99883200 0.72483800 1.0 Si Si71 1 0.50000000 0.49883200 0.27516200 1.0