# generated using pymatgen
data_Mn17Nb31N48
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33662396
_cell_length_b   5.33662396
_cell_length_c   40.37008837
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn17Nb31N48
_chemical_formula_sum   'Mn17 Nb31 N48'
_cell_volume   995.68860116
_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
  Mn  Mn1  1  0.00000000  0.00000000  0.25117200  1
  Mn  Mn2  1  0.00000000  0.00000000  0.87402300  1
  Mn  Mn3  1  0.33333300  0.66666700  0.00000000  1
  Mn  Mn4  1  0.00000000  0.00000000  0.12597700  1
  Mn  Mn5  1  0.33333300  0.66666700  0.25076400  1
  Mn  Mn6  1  0.33333300  0.66666700  0.37456900  1
  Mn  Mn7  1  0.00000000  0.00000000  0.37451400  1
  Mn  Mn8  1  0.33333300  0.66666700  0.62543100  1
  Mn  Mn9  1  0.33333300  0.66666700  0.74923600  1
  Mn  Mn10  1  0.00000000  0.00000000  0.62548600  1
  Mn  Mn11  1  0.00000000  0.00000000  0.74882800  1
  Mn  Mn12  1  0.66666700  0.33333300  0.87437900  1
  Mn  Mn13  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn14  1  0.66666700  0.33333300  0.12562100  1
  Mn  Mn15  1  0.66666700  0.33333300  0.37437400  1
  Mn  Mn16  1  0.66666700  0.33333300  0.62562600  1
  Nb  Nb17  1  0.00016700  0.66905200  0.06303300  1
  Nb  Nb18  1  0.00314000  0.67047500  0.31371200  1
  Nb  Nb19  1  0.99986800  0.66906600  0.56363100  1
  Nb  Nb20  1  0.00018900  0.66921900  0.81193800  1
  Nb  Nb21  1  0.33094800  0.99983300  0.93696700  1
  Nb  Nb22  1  0.33078100  0.99981100  0.18806200  1
  Nb  Nb23  1  0.33093400  0.00013200  0.43636900  1
  Nb  Nb24  1  0.00016700  0.33111500  0.93696700  1
  Nb  Nb25  1  0.00018900  0.33097000  0.18806200  1
  Nb  Nb26  1  0.99986800  0.33080300  0.43636900  1
  Nb  Nb27  1  0.33333300  0.66666700  0.87432200  1
  Nb  Nb28  1  0.33333300  0.66666700  0.12567800  1
  Nb  Nb29  1  0.33333300  0.66666700  0.50000000  1
  Nb  Nb30  1  0.33094800  0.33111500  0.06303300  1
  Nb  Nb31  1  0.32952500  0.33266500  0.31371200  1
  Nb  Nb32  1  0.33093400  0.33080300  0.56363100  1
  Nb  Nb33  1  0.33078100  0.33097000  0.81193800  1
  Nb  Nb34  1  0.32952500  0.99686000  0.68628800  1
  Nb  Nb35  1  0.66888500  0.66905200  0.93696700  1
  Nb  Nb36  1  0.66919700  0.66906600  0.43636900  1
  Nb  Nb37  1  0.66903000  0.66921900  0.18806200  1
  Nb  Nb38  1  0.66733500  0.67047500  0.68628800  1
  Nb  Nb39  1  0.66666700  0.33333300  0.00000000  1
  Nb  Nb40  1  0.66666700  0.33333300  0.25113300  1
  Nb  Nb41  1  0.66666700  0.33333300  0.50000000  1
  Nb  Nb42  1  0.66666700  0.33333300  0.74886700  1
  Nb  Nb43  1  0.66888500  0.99983300  0.06303300  1
  Nb  Nb44  1  0.66733500  0.99686000  0.31371200  1
  Nb  Nb45  1  0.66919700  0.00013200  0.56363100  1
  Nb  Nb46  1  0.66903000  0.99981100  0.81193800  1
  Nb  Nb47  1  0.00314000  0.33266500  0.68628800  1
  N  N48  1  0.99655000  0.66502700  0.90427700  1
  N  N49  1  0.99861400  0.66073000  0.40429300  1
  N  N50  1  0.99639200  0.66392200  0.15536700  1
  N  N51  1  0.00239100  0.66640800  0.22046400  1
  N  N52  1  0.00196500  0.66617700  0.96959700  1
  N  N53  1  0.00083000  0.67186400  0.46922800  1
  N  N54  1  0.99929800  0.65979100  0.65422000  1
  N  N55  1  0.99915600  0.66753100  0.71913400  1
  N  N56  1  0.00239100  0.33598300  0.77953600  1
  N  N57  1  0.00083000  0.32896600  0.53077200  1
  N  N58  1  0.33497300  0.33152400  0.90427700  1
  N  N59  1  0.33607800  0.33247000  0.15536700  1
  N  N60  1  0.33927000  0.33788300  0.40429300  1
  N  N61  1  0.34020900  0.33950800  0.65422000  1
  N  N62  1  0.33382300  0.33578800  0.96959700  1
  N  N63  1  0.33359200  0.33598300  0.22046400  1
  N  N64  1  0.32813600  0.32896600  0.46922800  1
  N  N65  1  0.33246900  0.33162500  0.71913400  1
  N  N66  1  0.67103400  0.99917000  0.46922800  1
  N  N67  1  0.66847600  0.00345000  0.90427700  1
  N  N68  1  0.66753000  0.00360800  0.15536700  1
  N  N69  1  0.66211700  0.00138600  0.40429300  1
  N  N70  1  0.33382300  0.99803500  0.03040300  1
  N  N71  1  0.33246900  0.00084400  0.28086600  1
  N  N72  1  0.33497300  0.00345000  0.09572300  1
  N  N73  1  0.32813600  0.99917000  0.53077200  1
  N  N74  1  0.34020900  0.00070200  0.34578000  1
  N  N75  1  0.33359200  0.99760900  0.77953600  1
  N  N76  1  0.33927000  0.00138600  0.59570700  1
  N  N77  1  0.33607800  0.00360800  0.84463300  1
  N  N78  1  0.66421200  0.66617700  0.03040300  1
  N  N79  1  0.66847600  0.66502700  0.09572300  1
  N  N80  1  0.66837500  0.66753100  0.28086600  1
  N  N81  1  0.66049200  0.65979100  0.34578000  1
  N  N82  1  0.66401700  0.66640800  0.77953600  1
  N  N83  1  0.66211700  0.66073000  0.59570700  1
  N  N84  1  0.67103400  0.67186400  0.53077200  1
  N  N85  1  0.66753000  0.66392200  0.84463300  1
  N  N86  1  0.66401700  0.99760900  0.22046400  1
  N  N87  1  0.66421200  0.99803500  0.96959700  1
  N  N88  1  0.66837500  0.00084400  0.71913400  1
  N  N89  1  0.66049200  0.00070200  0.65422000  1
  N  N90  1  0.00196500  0.33578800  0.03040300  1
  N  N91  1  0.99655000  0.33152400  0.09572300  1
  N  N92  1  0.99929800  0.33950800  0.34578000  1
  N  N93  1  0.99915600  0.33162500  0.28086600  1
  N  N94  1  0.99861400  0.33788300  0.59570700  1
  N  N95  1  0.99639200  0.33247000  0.84463300  1
