# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46089616
_cell_length_b   33.55605693
_cell_length_c   7.99098253
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.39542337
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr44 N88'
_cell_volume   2804.21417680
_cell_formula_units_Z   44
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  0.50000000  0.41767400  -0.00000000  1
  Cr  Cr1  1  0.00000000  0.08232600  0.00000000  1
  Cr  Cr2  1  0.69403900  0.34727700  0.83534600  1
  Cr  Cr3  1  0.19403900  0.15272300  0.83534600  1
  Cr  Cr4  1  0.80596100  0.15272300  0.16465400  1
  Cr  Cr5  1  0.30596100  0.34727700  0.16465400  1
  Cr  Cr6  1  0.49304300  0.27123700  0.71413300  1
  Cr  Cr7  1  0.99304300  0.22876300  0.71413300  1
  Cr  Cr8  1  0.00695700  0.22876300  0.28586700  1
  Cr  Cr9  1  0.50695700  0.27123700  0.28586700  1
  Cr  Cr10  1  0.37573400  0.45087200  0.63225400  1
  Cr  Cr11  1  0.87573400  0.04912800  0.63225400  1
  Cr  Cr12  1  0.12426600  0.04912800  0.36774600  1
  Cr  Cr13  1  0.62426600  0.45087200  0.36774600  1
  Cr  Cr14  1  0.19746000  0.30212000  0.81588100  1
  Cr  Cr15  1  0.69746000  0.19788000  0.81588100  1
  Cr  Cr16  1  0.30254000  0.19788000  0.18411900  1
  Cr  Cr17  1  0.80254000  0.30212000  0.18411900  1
  Cr  Cr18  1  0.16028100  0.37774800  0.52421200  1
  Cr  Cr19  1  0.66028100  0.12225200  0.52421200  1
  Cr  Cr20  1  0.33971900  0.12225200  0.47578800  1
  Cr  Cr21  1  0.83971900  0.37774800  0.47578800  1
  Cr  Cr22  1  0.00000000  0.91767400  0.00000000  1
  Cr  Cr23  1  0.50000000  0.58232600  -0.00000000  1
  Cr  Cr24  1  0.19403900  0.84727700  0.83534600  1
  Cr  Cr25  1  0.69403900  0.65272300  0.83534600  1
  Cr  Cr26  1  0.30596100  0.65272300  0.16465400  1
  Cr  Cr27  1  0.80596100  0.84727700  0.16465400  1
  Cr  Cr28  1  0.99304300  0.77123700  0.71413300  1
  Cr  Cr29  1  0.49304300  0.72876300  0.71413300  1
  Cr  Cr30  1  0.50695700  0.72876300  0.28586700  1
  Cr  Cr31  1  0.00695700  0.77123700  0.28586700  1
  Cr  Cr32  1  0.87573400  0.95087200  0.63225400  1
  Cr  Cr33  1  0.37573400  0.54912800  0.63225400  1
  Cr  Cr34  1  0.62426600  0.54912800  0.36774600  1
  Cr  Cr35  1  0.12426600  0.95087200  0.36774600  1
  Cr  Cr36  1  0.69746000  0.80212000  0.81588100  1
  Cr  Cr37  1  0.19746000  0.69788000  0.81588100  1
  Cr  Cr38  1  0.80254000  0.69788000  0.18411900  1
  Cr  Cr39  1  0.30254000  0.80212000  0.18411900  1
  Cr  Cr40  1  0.66028100  0.87774800  0.52421200  1
  Cr  Cr41  1  0.16028100  0.62225200  0.52421200  1
  Cr  Cr42  1  0.83971900  0.62225200  0.47578800  1
  Cr  Cr43  1  0.33971900  0.87774800  0.47578800  1
  N  N44  1  0.42920800  0.44470400  0.83607000  1
  N  N45  1  0.92920800  0.05529600  0.83607000  1
  N  N46  1  0.07079200  0.05529600  0.16393000  1
  N  N47  1  0.57079200  0.44470400  0.16393000  1
  N  N48  1  0.00000000  0.38950800  0.50000000  1
  N  N49  1  0.50000000  0.11049200  0.50000000  1
  N  N50  1  0.50000000  0.26568400  0.50000000  1
  N  N51  1  0.00000000  0.23431600  0.50000000  1
  N  N52  1  0.50000000  0.43997900  0.50000000  1
  N  N53  1  0.00000000  0.06002100  0.50000000  1
  N  N54  1  0.78898700  0.32446200  0.98975900  1
  N  N55  1  0.28898700  0.17553800  0.98975900  1
  N  N56  1  0.71101300  0.17553800  0.01024100  1
  N  N57  1  0.21101300  0.32446200  0.01024100  1
  N  N58  1  0.25003900  0.41780600  0.59290400  1
  N  N59  1  0.75003900  0.08219400  0.59290400  1
  N  N60  1  0.24996100  0.08219400  0.40709600  1
  N  N61  1  0.74996100  0.41780600  0.40709600  1
  N  N62  1  0.56564300  0.23051300  0.80095400  1
  N  N63  1  0.06564300  0.26948700  0.80095400  1
  N  N64  1  0.93435700  0.26948700  0.19904600  1
  N  N65  1  0.43435700  0.23051300  0.19904600  1
  N  N66  1  0.61855600  0.38854400  0.91966100  1
  N  N67  1  0.11855600  0.11145600  0.91966100  1
  N  N68  1  0.88144400  0.11145600  0.08033900  1
  N  N69  1  0.38144400  0.38854400  0.08033900  1
  N  N70  1  0.21799700  0.36134100  0.33456800  1
  N  N71  1  0.71799700  0.13865900  0.33456800  1
  N  N72  1  0.28200300  0.13865900  0.66543200  1
  N  N73  1  0.78200300  0.36134100  0.66543200  1
  N  N74  1  0.58114600  0.31317500  0.77081500  1
  N  N75  1  0.08114600  0.18682500  0.77081500  1
  N  N76  1  0.91885400  0.18682500  0.22918500  1
  N  N77  1  0.41885400  0.31317500  0.22918500  1
  N  N78  1  0.83124900  0.00000000  0.60043200  1
  N  N79  1  0.16875100  0.00000000  0.39956800  1
  N  N80  1  0.33333300  0.27604300  0.77430700  1
  N  N81  1  0.83335700  0.22395700  0.77430700  1
  N  N82  1  0.16664300  0.22395700  0.22569300  1
  N  N83  1  0.66666700  0.27604300  0.22569300  1
  N  N84  1  0.17479700  0.33965400  0.66972700  1
  N  N85  1  0.67479700  0.16034600  0.66972700  1
  N  N86  1  0.32520300  0.16034600  0.33027300  1
  N  N87  1  0.82520300  0.33965400  0.33027300  1
  N  N88  1  0.92920800  0.94470400  0.83607000  1
  N  N89  1  0.42920800  0.55529600  0.83607000  1
  N  N90  1  0.57079200  0.55529600  0.16393000  1
  N  N91  1  0.07079200  0.94470400  0.16393000  1
  N  N92  1  0.50000000  0.88950800  0.50000000  1
  N  N93  1  0.00000000  0.61049200  0.50000000  1
  N  N94  1  0.00000000  0.76568400  0.50000000  1
  N  N95  1  0.50000000  0.73431600  0.50000000  1
  N  N96  1  0.00000000  0.93997900  0.50000000  1
  N  N97  1  0.50000000  0.56002100  0.50000000  1
  N  N98  1  0.28898700  0.82446200  0.98975900  1
  N  N99  1  0.78898700  0.67553800  0.98975900  1
  N  N100  1  0.21101300  0.67553800  0.01024100  1
  N  N101  1  0.71101300  0.82446200  0.01024100  1
  N  N102  1  0.75003900  0.91780600  0.59290400  1
  N  N103  1  0.25003900  0.58219400  0.59290400  1
  N  N104  1  0.74996100  0.58219400  0.40709600  1
  N  N105  1  0.24996100  0.91780600  0.40709600  1
  N  N106  1  0.06564300  0.73051300  0.80095400  1
  N  N107  1  0.56564300  0.76948700  0.80095400  1
  N  N108  1  0.43435700  0.76948700  0.19904600  1
  N  N109  1  0.93435700  0.73051300  0.19904600  1
  N  N110  1  0.11855600  0.88854400  0.91966100  1
  N  N111  1  0.61855600  0.61145600  0.91966100  1
  N  N112  1  0.38144400  0.61145600  0.08033900  1
  N  N113  1  0.88144400  0.88854400  0.08033900  1
  N  N114  1  0.71799700  0.86134100  0.33456800  1
  N  N115  1  0.21799700  0.63865900  0.33456800  1
  N  N116  1  0.78200300  0.63865900  0.66543200  1
  N  N117  1  0.28200300  0.86134100  0.66543200  1
  N  N118  1  0.08114600  0.81317500  0.77081500  1
  N  N119  1  0.58114600  0.68682500  0.77081500  1
  N  N120  1  0.41885400  0.68682500  0.22918500  1
  N  N121  1  0.91885400  0.81317500  0.22918500  1
  N  N122  1  0.33124900  0.50000000  0.60043200  1
  N  N123  1  0.66875100  0.50000000  0.39956800  1
  N  N124  1  0.83335700  0.77604300  0.77430700  1
  N  N125  1  0.33333300  0.72395700  0.77430700  1
  N  N126  1  0.66666700  0.72395700  0.22569300  1
  N  N127  1  0.16664300  0.77604300  0.22569300  1
  N  N128  1  0.67479700  0.83965400  0.66972700  1
  N  N129  1  0.17479700  0.66034600  0.66972700  1
  N  N130  1  0.82520300  0.66034600  0.33027300  1
  N  N131  1  0.32520300  0.83965400  0.33027300  1
