# generated using pymatgen data_Nb3(CrSi)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82603900 _cell_length_b 13.12213100 _cell_length_c 15.71283500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3(CrSi)8 _chemical_formula_sum 'Nb12 Cr32 Si32' _cell_volume 995.06109452 _cell_formula_units_Z 4 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 0.25000000 0.56498900 0.30525900 1.0 Nb Nb1 1 0.25000000 0.06498900 0.19474100 1.0 Nb Nb2 1 0.75000000 0.43501100 0.69474100 1.0 Nb Nb3 1 0.75000000 0.93501100 0.80525900 1.0 Nb Nb4 1 0.25000000 0.86550000 0.45716000 1.0 Nb Nb5 1 0.25000000 0.36550000 0.04284000 1.0 Nb Nb6 1 0.75000000 0.13450000 0.54284000 1.0 Nb Nb7 1 0.75000000 0.63450000 0.95716000 1.0 Nb Nb8 1 0.25000000 0.75150300 0.02817900 1.0 Nb Nb9 1 0.25000000 0.25150300 0.47182100 1.0 Nb Nb10 1 0.75000000 0.24849700 0.97182100 1.0 Nb Nb11 1 0.75000000 0.74849700 0.52817900 1.0 Cr Cr12 1 0.99182700 0.86581100 0.17259200 1.0 Cr Cr13 1 0.50817300 0.36581100 0.32740800 1.0 Cr Cr14 1 0.49182700 0.13418900 0.82740800 1.0 Cr Cr15 1 0.00817300 0.63418900 0.67259200 1.0 Cr Cr16 1 0.00817300 0.13418900 0.82740800 1.0 Cr Cr17 1 0.49182700 0.63418900 0.67259200 1.0 Cr Cr18 1 0.50817300 0.86581100 0.17259200 1.0 Cr Cr19 1 0.99182700 0.36581100 0.32740800 1.0 Cr Cr20 1 0.00918300 0.56008800 0.12297300 1.0 Cr Cr21 1 0.49081700 0.06008800 0.37702700 1.0 Cr Cr22 1 0.50918300 0.43991200 0.87702700 1.0 Cr Cr23 1 0.99081700 0.93991200 0.62297300 1.0 Cr Cr24 1 0.99081700 0.43991200 0.87702700 1.0 Cr Cr25 1 0.50918300 0.93991200 0.62297300 1.0 Cr Cr26 1 0.49081700 0.56008800 0.12297300 1.0 Cr Cr27 1 0.00918300 0.06008800 0.37702700 1.0 Cr Cr28 1 0.25000000 0.63661100 0.84383700 1.0 Cr Cr29 1 0.25000000 0.13661100 0.65616300 1.0 Cr Cr30 1 0.75000000 0.36338900 0.15616300 1.0 Cr Cr31 1 0.75000000 0.86338900 0.34383700 1.0 Cr Cr32 1 0.25000000 0.95762800 0.90613900 1.0 Cr Cr33 1 0.25000000 0.45762800 0.59386100 1.0 Cr Cr34 1 0.75000000 0.04237200 0.09386100 1.0 Cr Cr35 1 0.75000000 0.54237200 0.40613900 1.0 Cr Cr36 1 0.25000000 0.62261700 0.50681900 1.0 Cr Cr37 1 0.25000000 0.12261700 0.99318100 1.0 Cr Cr38 1 0.75000000 0.37738300 0.49318100 1.0 Cr Cr39 1 0.75000000 0.87738300 0.00681900 1.0 Cr Cr40 1 0.25000000 0.81150600 0.75028500 1.0 Cr Cr41 1 0.25000000 0.31150600 0.74971500 1.0 Cr Cr42 1 0.75000000 0.18849400 0.24971500 1.0 Cr Cr43 1 0.75000000 0.68849400 0.25028500 1.0 Si Si44 1 0.00035100 0.71136700 0.38191600 1.0 Si Si45 1 0.49964900 0.21136700 0.11808400 1.0 Si Si46 1 0.50035100 0.28863300 0.61808400 1.0 Si Si47 1 0.99964900 0.78863300 0.88191600 1.0 Si Si48 1 0.99964900 0.28863300 0.61808400 1.0 Si Si49 1 0.50035100 0.78863300 0.88191600 1.0 Si Si50 1 0.49964900 0.71136700 0.38191600 1.0 Si Si51 1 0.00035100 0.21136700 0.11808400 1.0 Si Si52 1 0.25000000 0.70937300 0.19475400 1.0 Si Si53 1 0.25000000 0.20937300 0.30524600 1.0 Si Si54 1 0.75000000 0.29062700 0.80524600 1.0 Si Si55 1 0.75000000 0.79062700 0.69475400 1.0 Si Si56 1 0.25000000 0.91067400 0.30106700 1.0 Si Si57 1 0.25000000 0.41067400 0.19893300 1.0 Si Si58 1 0.75000000 0.08932600 0.69893300 1.0 Si Si59 1 0.75000000 0.58932600 0.80106700 1.0 Si Si60 1 0.25000000 0.55022200 0.98181100 1.0 Si Si61 1 0.25000000 0.05022200 0.51818900 1.0 Si Si62 1 0.75000000 0.44977800 0.01819000 1.0 Si Si63 1 0.75000000 0.94977800 0.48181000 1.0 Si Si64 1 0.25000000 0.95207900 0.05697700 1.0 Si Si65 1 0.25000000 0.45207900 0.44302300 1.0 Si Si66 1 0.75000000 0.04792100 0.94302300 1.0 Si Si67 1 0.75000000 0.54792100 0.55697700 1.0 Si Si68 1 0.25000000 0.77448500 0.60341100 1.0 Si Si69 1 0.25000000 0.27448500 0.89658900 1.0 Si Si70 1 0.75000000 0.22551500 0.39658900 1.0 Si Si71 1 0.75000000 0.72551500 0.10341100 1.0 Si Si72 1 0.25000000 0.99630100 0.75223900 1.0 Si Si73 1 0.25000000 0.49630100 0.74776100 1.0 Si Si74 1 0.75000000 0.00369900 0.24776100 1.0 Si Si75 1 0.75000000 0.50369900 0.25223900 1.0