# generated using pymatgen
data_Zr2Sc18N19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45459205
_cell_length_b   8.45545708
_cell_length_c   8.46059733
_cell_angle_alpha   106.57138862
_cell_angle_beta   106.61008283
_cell_angle_gamma   115.38821302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Sc18N19
_chemical_formula_sum   'Zr2 Sc18 N19'
_cell_volume   461.89262146
_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
  Zr  Zr0  1  0.04486188  0.64805948  0.19901522  1.0
  Zr  Zr1  1  0.50253732  0.00164723  0.50099919  1.0
  Sc  Sc2  1  0.39733455  0.70698293  0.10107772  1.0
  Sc  Sc3  1  0.10053340  0.79972500  0.89772355  1.0
  Sc  Sc4  1  0.75721701  0.75940006  0.99858833  1.0
  Sc  Sc5  1  0.80013047  0.89995335  0.69979644  1.0
  Sc  Sc6  1  0.44891988  0.84603260  0.80058962  1.0
  Sc  Sc7  1  0.15167894  0.95360101  0.60477231  1.0
  Sc  Sc8  1  0.20125241  0.10236229  0.30070082  1.0
  Sc  Sc9  1  0.84882575  0.04754505  0.39668897  1.0
  Sc  Sc10  1  0.89919513  0.19905017  0.10070322  1.0
  Sc  Sc11  1  0.55060554  0.15355025  0.19898784  1.0
  Sc  Sc12  1  0.60188021  0.29122244  0.89638587  1.0
  Sc  Sc13  1  0.24143962  0.24144190  0.00025038  1.0
  Sc  Sc14  1  0.29201329  0.39543416  0.68748140  1.0
  Sc  Sc15  1  0.95483856  0.35049732  0.79943022  1.0
  Sc  Sc16  1  0.99966001  0.49905522  0.50133984  1.0
  Sc  Sc17  1  0.65078410  0.45178449  0.60314835  1.0
  Sc  Sc18  1  0.70612301  0.60415154  0.31342511  1.0
  Sc  Sc19  1  0.35051427  0.54790603  0.39796182  1.0
  N  N20  1  0.89906143  0.69967792  0.59914312  1.0
  N  N21  1  0.55019438  0.64978668  0.70190095  1.0
  N  N22  1  0.59972054  0.80053639  0.39997467  1.0
  N  N23  1  0.24989931  0.75060431  0.49836648  1.0
  N  N24  1  0.30015694  0.89820872  0.20028663  1.0
  N  N25  1  0.94843130  0.84690889  0.29740480  1.0
  N  N26  1  0.99999581  0.00027576  0.99992431  1.0
  N  N27  1  0.64995939  0.94810171  0.09952813  1.0
  N  N28  1  0.69835558  0.10035708  0.79884126  1.0
  N  N29  1  0.35007738  0.05207024  0.90035541  1.0
  N  N30  1  0.05220158  0.15173506  0.70193457  1.0
  N  N31  1  0.74862186  0.24856428  0.50024430  1.0
  N  N32  1  0.40092335  0.19999557  0.60062953  1.0
  N  N33  1  0.44987874  0.35036223  0.29831722  1.0
  N  N34  1  0.10071295  0.30010000  0.40120912  1.0
  N  N35  1  0.15059548  0.45127033  0.10056944  1.0
  N  N36  1  0.20112860  0.59973453  0.80068576  1.0
  N  N37  1  0.80014686  0.40149617  0.19917262  1.0
  N  N38  1  0.84959317  0.55081160  0.90244947  1.0