# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.91781651
_cell_length_b   22.35038097
_cell_length_c   9.17678558
_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   'Cr48 N96'
_cell_volume   3264.81824442
_cell_formula_units_Z   48
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  0.72648400  0.43684000  1
  Cr  Cr1  1  0.50000000  0.27351600  0.56316000  1
  Cr  Cr2  1  0.50000000  0.72648400  0.06316000  1
  Cr  Cr3  1  0.50000000  0.27351600  0.93684000  1
  Cr  Cr4  1  0.50000000  0.87707000  0.43626500  1
  Cr  Cr5  1  0.50000000  0.12293000  0.56373500  1
  Cr  Cr6  1  0.50000000  0.87707000  0.06373500  1
  Cr  Cr7  1  0.50000000  0.12293000  0.93626500  1
  Cr  Cr8  1  0.31092200  0.92879900  0.56212600  1
  Cr  Cr9  1  0.31092200  0.07120100  0.43787400  1
  Cr  Cr10  1  0.31092200  0.92879900  0.93787400  1
  Cr  Cr11  1  0.31092200  0.07120100  0.06212600  1
  Cr  Cr12  1  0.68907800  0.07120100  0.43787400  1
  Cr  Cr13  1  0.68907800  0.92879900  0.56212600  1
  Cr  Cr14  1  0.68907800  0.07120100  0.06212600  1
  Cr  Cr15  1  0.68907800  0.92879900  0.93787400  1
  Cr  Cr16  1  0.80623700  0.18903100  0.56218800  1
  Cr  Cr17  1  0.80623700  0.81096900  0.43781200  1
  Cr  Cr18  1  0.80623700  0.18903100  0.93781200  1
  Cr  Cr19  1  0.80623700  0.81096900  0.06218800  1
  Cr  Cr20  1  0.19376300  0.81096900  0.43781200  1
  Cr  Cr21  1  0.19376300  0.18903100  0.56218800  1
  Cr  Cr22  1  0.19376300  0.81096900  0.06218800  1
  Cr  Cr23  1  0.19376300  0.18903100  0.93781200  1
  Cr  Cr24  1  0.00000000  0.22648400  0.43684000  1
  Cr  Cr25  1  0.00000000  0.77351600  0.56316000  1
  Cr  Cr26  1  0.00000000  0.22648400  0.06316000  1
  Cr  Cr27  1  0.00000000  0.77351600  0.93684000  1
  Cr  Cr28  1  0.00000000  0.37707000  0.43626500  1
  Cr  Cr29  1  0.00000000  0.62293000  0.56373500  1
  Cr  Cr30  1  0.00000000  0.37707000  0.06373500  1
  Cr  Cr31  1  0.00000000  0.62293000  0.93626500  1
  Cr  Cr32  1  0.81092200  0.42879900  0.56212600  1
  Cr  Cr33  1  0.81092200  0.57120100  0.43787400  1
  Cr  Cr34  1  0.81092200  0.42879900  0.93787400  1
  Cr  Cr35  1  0.81092200  0.57120100  0.06212600  1
  Cr  Cr36  1  0.18907800  0.57120100  0.43787400  1
  Cr  Cr37  1  0.18907800  0.42879900  0.56212600  1
  Cr  Cr38  1  0.18907800  0.57120100  0.06212600  1
  Cr  Cr39  1  0.18907800  0.42879900  0.93787400  1
  Cr  Cr40  1  0.30623700  0.68903100  0.56218800  1
  Cr  Cr41  1  0.30623700  0.31096900  0.43781200  1
  Cr  Cr42  1  0.30623700  0.68903100  0.93781200  1
  Cr  Cr43  1  0.30623700  0.31096900  0.06218800  1
  Cr  Cr44  1  0.69376300  0.31096900  0.43781200  1
  Cr  Cr45  1  0.69376300  0.68903100  0.56218800  1
  Cr  Cr46  1  0.69376300  0.31096900  0.06218800  1
  Cr  Cr47  1  0.69376300  0.68903100  0.93781200  1
  N  N48  1  0.50000000  0.71904900  0.25000000  1
  N  N49  1  0.50000000  0.28095100  0.75000000  1
  N  N50  1  0.50000000  0.88596600  0.25000000  1
  N  N51  1  0.50000000  0.11403400  0.75000000  1
  N  N52  1  0.30986800  0.92870600  0.75000000  1
  N  N53  1  0.30986800  0.07129400  0.25000000  1
  N  N54  1  0.69013200  0.07129400  0.25000000  1
  N  N55  1  0.69013200  0.92870600  0.75000000  1
  N  N56  1  0.80324300  0.19011000  0.75000000  1
  N  N57  1  0.80324300  0.80989000  0.25000000  1
  N  N58  1  0.19675700  0.80989000  0.25000000  1
  N  N59  1  0.19675700  0.19011000  0.75000000  1
  N  N60  1  0.50000000  0.80179900  0.47622900  1
  N  N61  1  0.50000000  0.19820100  0.52377100  1
  N  N62  1  0.50000000  0.80179900  0.02377100  1
  N  N63  1  0.50000000  0.19820100  0.97622900  1
  N  N64  1  0.41038000  0.91000400  0.50487600  1
  N  N65  1  0.41038000  0.08999600  0.49512400  1
  N  N66  1  0.41038000  0.91000400  0.99512400  1
  N  N67  1  0.41038000  0.08999600  0.00487600  1
  N  N68  1  0.58962000  0.08999600  0.49512400  1
  N  N69  1  0.58962000  0.91000400  0.50487600  1
  N  N70  1  0.58962000  0.08999600  0.00487600  1
  N  N71  1  0.58962000  0.91000400  0.99512400  1
  N  N72  1  0.28795600  0.00000000  0.50000000  1
  N  N73  1  0.28795600  0.00000000  0.00000000  1
  N  N74  1  0.71204400  0.00000000  0.50000000  1
  N  N75  1  0.71204400  0.00000000  0.00000000  1
  N  N76  1  0.23974000  0.87655700  0.49822800  1
  N  N77  1  0.23974000  0.12344300  0.50177200  1
  N  N78  1  0.23974000  0.87655700  0.00177200  1
  N  N79  1  0.23974000  0.12344300  0.99822800  1
  N  N80  1  0.76026000  0.12344300  0.50177200  1
  N  N81  1  0.76026000  0.87655700  0.49822800  1
  N  N82  1  0.76026000  0.12344300  0.99822800  1
  N  N83  1  0.76026000  0.87655700  0.00177200  1
  N  N84  1  0.75000000  0.25000000  0.50000000  1
  N  N85  1  0.75000000  0.75000000  0.50000000  1
  N  N86  1  0.75000000  0.25000000  0.00000000  1
  N  N87  1  0.75000000  0.75000000  0.00000000  1
  N  N88  1  0.40945100  0.69423800  0.50539300  1
  N  N89  1  0.40945100  0.30576200  0.49460700  1
  N  N90  1  0.40945100  0.69423800  0.99460700  1
  N  N91  1  0.40945100  0.30576200  0.00539300  1
  N  N92  1  0.59054900  0.30576200  0.49460700  1
  N  N93  1  0.59054900  0.69423800  0.50539300  1
  N  N94  1  0.59054900  0.30576200  0.00539300  1
  N  N95  1  0.59054900  0.69423800  0.99460700  1
  N  N96  1  0.00000000  0.21904900  0.25000000  1
  N  N97  1  0.00000000  0.78095100  0.75000000  1
  N  N98  1  0.00000000  0.38596600  0.25000000  1
  N  N99  1  0.00000000  0.61403400  0.75000000  1
  N  N100  1  0.80986800  0.42870600  0.75000000  1
  N  N101  1  0.80986800  0.57129400  0.25000000  1
  N  N102  1  0.19013200  0.57129400  0.25000000  1
  N  N103  1  0.19013200  0.42870600  0.75000000  1
  N  N104  1  0.30324300  0.69011000  0.75000000  1
  N  N105  1  0.30324300  0.30989000  0.25000000  1
  N  N106  1  0.69675700  0.30989000  0.25000000  1
  N  N107  1  0.69675700  0.69011000  0.75000000  1
  N  N108  1  0.00000000  0.30179900  0.47622900  1
  N  N109  1  0.00000000  0.69820100  0.52377100  1
  N  N110  1  0.00000000  0.30179900  0.02377100  1
  N  N111  1  0.00000000  0.69820100  0.97622900  1
  N  N112  1  0.91038000  0.41000400  0.50487600  1
  N  N113  1  0.91038000  0.58999600  0.49512400  1
  N  N114  1  0.91038000  0.41000400  0.99512400  1
  N  N115  1  0.91038000  0.58999600  0.00487600  1
  N  N116  1  0.08962000  0.58999600  0.49512400  1
  N  N117  1  0.08962000  0.41000400  0.50487600  1
  N  N118  1  0.08962000  0.58999600  0.00487600  1
  N  N119  1  0.08962000  0.41000400  0.99512400  1
  N  N120  1  0.78795600  0.50000000  0.50000000  1
  N  N121  1  0.78795600  0.50000000  0.00000000  1
  N  N122  1  0.21204400  0.50000000  0.50000000  1
  N  N123  1  0.21204400  0.50000000  0.00000000  1
  N  N124  1  0.73974000  0.37655700  0.49822800  1
  N  N125  1  0.73974000  0.62344300  0.50177200  1
  N  N126  1  0.73974000  0.37655700  0.00177200  1
  N  N127  1  0.73974000  0.62344300  0.99822800  1
  N  N128  1  0.26026000  0.62344300  0.50177200  1
  N  N129  1  0.26026000  0.37655700  0.49822800  1
  N  N130  1  0.26026000  0.62344300  0.99822800  1
  N  N131  1  0.26026000  0.37655700  0.00177200  1
  N  N132  1  0.25000000  0.75000000  0.50000000  1
  N  N133  1  0.25000000  0.25000000  0.50000000  1
  N  N134  1  0.25000000  0.75000000  0.00000000  1
  N  N135  1  0.25000000  0.25000000  0.00000000  1
  N  N136  1  0.90945100  0.19423800  0.50539300  1
  N  N137  1  0.90945100  0.80576200  0.49460700  1
  N  N138  1  0.90945100  0.19423800  0.99460700  1
  N  N139  1  0.90945100  0.80576200  0.00539300  1
  N  N140  1  0.09054900  0.80576200  0.49460700  1
  N  N141  1  0.09054900  0.19423800  0.50539300  1
  N  N142  1  0.09054900  0.80576200  0.00539300  1
  N  N143  1  0.09054900  0.19423800  0.99460700  1
