# generated using pymatgen data_Mn17Nb31N48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33662404 _cell_length_b 5.33662404 _cell_length_c 40.37008800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn17Nb31N48 _chemical_formula_sum 'Mn17 Nb31 N48' _cell_volume 995.68861677 _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 Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.25117200 1.0 Mn Mn2 1 0.00000000 0.00000000 0.87402300 1.0 Mn Mn3 1 0.33333300 0.66666700 0.00000000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.12597700 1.0 Mn Mn5 1 0.33333300 0.66666700 0.25076400 1.0 Mn Mn6 1 0.33333300 0.66666700 0.37456900 1.0 Mn Mn7 1 0.00000000 0.00000000 0.37451400 1.0 Mn Mn8 1 0.33333300 0.66666700 0.62543100 1.0 Mn Mn9 1 0.33333300 0.66666700 0.74923600 1.0 Mn Mn10 1 0.00000000 0.00000000 0.62548600 1.0 Mn Mn11 1 0.00000000 0.00000000 0.74882800 1.0 Mn Mn12 1 0.66666700 0.33333300 0.87437900 1.0 Mn Mn13 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn14 1 0.66666700 0.33333300 0.12562100 1.0 Mn Mn15 1 0.66666700 0.33333300 0.37437400 1.0 Mn Mn16 1 0.66666700 0.33333300 0.62562600 1.0 Nb Nb17 1 0.00016700 0.66905200 0.06303300 1.0 Nb Nb18 1 0.00314000 0.67047500 0.31371200 1.0 Nb Nb19 1 0.99986800 0.66906600 0.56363100 1.0 Nb Nb20 1 0.00018900 0.66921900 0.81193800 1.0 Nb Nb21 1 0.33094800 0.99983300 0.93696700 1.0 Nb Nb22 1 0.33078100 0.99981100 0.18806200 1.0 Nb Nb23 1 0.33093400 0.00013200 0.43636900 1.0 Nb Nb24 1 0.00016700 0.33111500 0.93696700 1.0 Nb Nb25 1 0.00018900 0.33097000 0.18806200 1.0 Nb Nb26 1 0.99986800 0.33080300 0.43636900 1.0 Nb Nb27 1 0.33333300 0.66666700 0.87432200 1.0 Nb Nb28 1 0.33333300 0.66666700 0.12567800 1.0 Nb Nb29 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb30 1 0.33094800 0.33111500 0.06303300 1.0 Nb Nb31 1 0.32952500 0.33266500 0.31371200 1.0 Nb Nb32 1 0.33093400 0.33080300 0.56363100 1.0 Nb Nb33 1 0.33078100 0.33097000 0.81193800 1.0 Nb Nb34 1 0.32952500 0.99686000 0.68628800 1.0 Nb Nb35 1 0.66888500 0.66905200 0.93696700 1.0 Nb Nb36 1 0.66919700 0.66906600 0.43636900 1.0 Nb Nb37 1 0.66903000 0.66921900 0.18806200 1.0 Nb Nb38 1 0.66733500 0.67047500 0.68628800 1.0 Nb Nb39 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb40 1 0.66666700 0.33333300 0.25113300 1.0 Nb Nb41 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb42 1 0.66666700 0.33333300 0.74886700 1.0 Nb Nb43 1 0.66888500 0.99983300 0.06303300 1.0 Nb Nb44 1 0.66733500 0.99686000 0.31371200 1.0 Nb Nb45 1 0.66919700 0.00013200 0.56363100 1.0 Nb Nb46 1 0.66903000 0.99981100 0.81193800 1.0 Nb Nb47 1 0.00314000 0.33266500 0.68628800 1.0 N N48 1 0.99655000 0.66502700 0.90427700 1.0 N N49 1 0.99861400 0.66073000 0.40429300 1.0 N N50 1 0.99639200 0.66392200 0.15536700 1.0 N N51 1 0.00239100 0.66640800 0.22046400 1.0 N N52 1 0.00196500 0.66617700 0.96959700 1.0 N N53 1 0.00083000 0.67186400 0.46922800 1.0 N N54 1 0.99929800 0.65979100 0.65422000 1.0 N N55 1 0.99915600 0.66753100 0.71913400 1.0 N N56 1 0.00239100 0.33598300 0.77953600 1.0 N N57 1 0.00083000 0.32896600 0.53077200 1.0 N N58 1 0.33497300 0.33152400 0.90427700 1.0 N N59 1 0.33607800 0.33247000 0.15536700 1.0 N N60 1 0.33927000 0.33788300 0.40429300 1.0 N N61 1 0.34020900 0.33950800 0.65422000 1.0 N N62 1 0.33382300 0.33578800 0.96959700 1.0 N N63 1 0.33359200 0.33598300 0.22046400 1.0 N N64 1 0.32813600 0.32896600 0.46922800 1.0 N N65 1 0.33246900 0.33162500 0.71913400 1.0 N N66 1 0.67103400 0.99917000 0.46922800 1.0 N N67 1 0.66847600 0.00345000 0.90427700 1.0 N N68 1 0.66753000 0.00360800 0.15536700 1.0 N N69 1 0.66211700 0.00138600 0.40429300 1.0 N N70 1 0.33382300 0.99803500 0.03040300 1.0 N N71 1 0.33246900 0.00084400 0.28086600 1.0 N N72 1 0.33497300 0.00345000 0.09572300 1.0 N N73 1 0.32813600 0.99917000 0.53077200 1.0 N N74 1 0.34020900 0.00070200 0.34578000 1.0 N N75 1 0.33359200 0.99760900 0.77953600 1.0 N N76 1 0.33927000 0.00138600 0.59570700 1.0 N N77 1 0.33607800 0.00360800 0.84463300 1.0 N N78 1 0.66421200 0.66617700 0.03040300 1.0 N N79 1 0.66847600 0.66502700 0.09572300 1.0 N N80 1 0.66837500 0.66753100 0.28086600 1.0 N N81 1 0.66049200 0.65979100 0.34578000 1.0 N N82 1 0.66401700 0.66640800 0.77953600 1.0 N N83 1 0.66211700 0.66073000 0.59570700 1.0 N N84 1 0.67103400 0.67186400 0.53077200 1.0 N N85 1 0.66753000 0.66392200 0.84463300 1.0 N N86 1 0.66401700 0.99760900 0.22046400 1.0 N N87 1 0.66421200 0.99803500 0.96959700 1.0 N N88 1 0.66837500 0.00084400 0.71913400 1.0 N N89 1 0.66049200 0.00070200 0.65422000 1.0 N N90 1 0.00196500 0.33578800 0.03040300 1.0 N N91 1 0.99655000 0.33152400 0.09572300 1.0 N N92 1 0.99929800 0.33950800 0.34578000 1.0 N N93 1 0.99915600 0.33162500 0.28086600 1.0 N N94 1 0.99861400 0.33788300 0.59570700 1.0 N N95 1 0.99639200 0.33247000 0.84463300 1.0