# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55733038
_cell_length_b   9.00915893
_cell_length_c   29.15127840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr24 N48'
_cell_volume   1459.51334236
_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
  Cr  Cr0  1  0.10859800  0.80676100  0.86134600  1
  Cr  Cr1  1  0.89140200  0.30676100  0.63865400  1
  Cr  Cr2  1  0.39140200  0.19323900  0.36134600  1
  Cr  Cr3  1  0.60859800  0.69323900  0.13865400  1
  Cr  Cr4  1  0.00212300  0.18572000  0.86142500  1
  Cr  Cr5  1  0.99787700  0.68572000  0.63857500  1
  Cr  Cr6  1  0.49787700  0.81428000  0.36142500  1
  Cr  Cr7  1  0.50212300  0.31428000  0.13857500  1
  Cr  Cr8  1  0.11628500  0.68700400  0.97311800  1
  Cr  Cr9  1  0.88371500  0.18700400  0.52688200  1
  Cr  Cr10  1  0.38371500  0.31299600  0.47311800  1
  Cr  Cr11  1  0.61628500  0.81299600  0.02688200  1
  Cr  Cr12  1  0.00725600  0.31112800  0.97212300  1
  Cr  Cr13  1  0.99274400  0.81112800  0.52787700  1
  Cr  Cr14  1  0.49274400  0.68887200  0.47212300  1
  Cr  Cr15  1  0.50725600  0.18887200  0.02787700  1
  Cr  Cr16  1  0.60829200  0.68666500  0.80585100  1
  Cr  Cr17  1  0.39170800  0.18666500  0.69414900  1
  Cr  Cr18  1  0.89170800  0.31333500  0.30585100  1
  Cr  Cr19  1  0.10829200  0.81333500  0.19414900  1
  Cr  Cr20  1  0.50356600  0.30682500  0.80460100  1
  Cr  Cr21  1  0.49643400  0.80682500  0.69539900  1
  Cr  Cr22  1  0.99643400  0.69317500  0.30460100  1
  Cr  Cr23  1  0.00356600  0.19317500  0.19539900  1
  N  N24  1  0.55535900  0.48760600  0.80533100  1
  N  N25  1  0.44464100  0.98760600  0.69466900  1
  N  N26  1  0.94464100  0.51239400  0.30533100  1
  N  N27  1  0.05535900  0.01239400  0.19466900  1
  N  N28  1  0.06517600  0.98897200  0.86216400  1
  N  N29  1  0.93482400  0.48897200  0.63783600  1
  N  N30  1  0.43482400  0.01102800  0.36216400  1
  N  N31  1  0.56517600  0.51102800  0.13783600  1
  N  N32  1  0.06285300  0.49676400  0.97404400  1
  N  N33  1  0.93714700  0.99676400  0.52595600  1
  N  N34  1  0.43714700  0.50323600  0.47404400  1
  N  N35  1  0.56285300  0.00323600  0.02595600  1
  N  N36  1  0.08852600  0.74081500  0.91737600  1
  N  N37  1  0.91147400  0.24081500  0.58262400  1
  N  N38  1  0.41147400  0.25918500  0.41737600  1
  N  N39  1  0.58852600  0.75918500  0.08262400  1
  N  N40  1  0.95637500  0.24936900  0.91615600  1
  N  N41  1  0.04362500  0.74936900  0.58384400  1
  N  N42  1  0.54362500  0.75063100  0.41615600  1
  N  N43  1  0.45637500  0.25063100  0.08384400  1
  N  N44  1  0.43471100  0.24815900  0.74880400  1
  N  N45  1  0.56528900  0.74815900  0.75119600  1
  N  N46  1  0.06528900  0.75184100  0.24880400  1
  N  N47  1  0.93471100  0.25184100  0.25119600  1
  N  N48  1  0.89370300  0.72408700  0.82644700  1
  N  N49  1  0.10629700  0.22408700  0.67355300  1
  N  N50  1  0.60629700  0.27591300  0.32644700  1
  N  N51  1  0.39370300  0.77591300  0.17355300  1
  N  N52  1  0.75197200  0.21651100  0.82729400  1
  N  N53  1  0.24802800  0.71651100  0.67270600  1
  N  N54  1  0.74802800  0.78348900  0.32729400  1
  N  N55  1  0.25197200  0.28348900  0.17270600  1
  N  N56  1  0.40008400  0.76289800  0.84023600  1
  N  N57  1  0.59991600  0.26289800  0.65976400  1
  N  N58  1  0.09991600  0.23710200  0.34023600  1
  N  N59  1  0.90008400  0.73710200  0.15976400  1
  N  N60  1  0.24794900  0.26535200  0.83913500  1
  N  N61  1  0.75205100  0.76535200  0.66086500  1
  N  N62  1  0.25205100  0.73464800  0.33913500  1
  N  N63  1  0.74794900  0.23464800  0.16086500  1
  N  N64  1  0.90288300  0.77233400  0.00675800  1
  N  N65  1  0.09711700  0.27233400  0.49324200  1
  N  N66  1  0.59711700  0.22766600  0.50675800  1
  N  N67  1  0.40288300  0.72766600  0.99324200  1
  N  N68  1  0.75227200  0.27690800  0.00604900  1
  N  N69  1  0.24772800  0.77690800  0.49395100  1
  N  N70  1  0.74772800  0.72309200  0.50604900  1
  N  N71  1  0.25227200  0.22309200  0.99395100  1
