# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.73353618
_cell_length_b   19.01073620
_cell_length_c   19.41208142
_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   'Cr72 N144'
_cell_volume   5437.23412026
_cell_formula_units_Z   72
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  0.88777400  0.87483400  0.31006800  1
  Cr  Cr1  1  0.38777400  0.12516600  0.18993200  1
  Cr  Cr2  1  0.11222600  0.12516600  0.31006800  1
  Cr  Cr3  1  0.61222600  0.87483400  0.18993200  1
  Cr  Cr4  1  0.61222600  0.12516600  0.18993200  1
  Cr  Cr5  1  0.11222600  0.87483400  0.31006800  1
  Cr  Cr6  1  0.38777400  0.87483400  0.18993200  1
  Cr  Cr7  1  0.88777400  0.12516600  0.31006800  1
  Cr  Cr8  1  0.80273900  0.00000000  0.41122900  1
  Cr  Cr9  1  0.30273900  0.00000000  0.08877100  1
  Cr  Cr10  1  0.19726100  0.00000000  0.41122900  1
  Cr  Cr11  1  0.69726100  0.00000000  0.08877100  1
  Cr  Cr12  1  0.88927200  0.00000000  0.18451200  1
  Cr  Cr13  1  0.38927200  0.00000000  0.31548800  1
  Cr  Cr14  1  0.11072800  0.00000000  0.18451200  1
  Cr  Cr15  1  0.61072800  0.00000000  0.31548800  1
  Cr  Cr16  1  0.25000000  0.25000000  0.25000000  1
  Cr  Cr17  1  0.25000000  0.75000000  0.25000000  1
  Cr  Cr18  1  0.88777400  0.37483400  0.81006800  1
  Cr  Cr19  1  0.38777400  0.62516600  0.68993200  1
  Cr  Cr20  1  0.11222600  0.62516600  0.81006800  1
  Cr  Cr21  1  0.61222600  0.37483400  0.68993200  1
  Cr  Cr22  1  0.61222600  0.62516600  0.68993200  1
  Cr  Cr23  1  0.11222600  0.37483400  0.81006800  1
  Cr  Cr24  1  0.38777400  0.37483400  0.68993200  1
  Cr  Cr25  1  0.88777400  0.62516600  0.81006800  1
  Cr  Cr26  1  0.80273900  0.50000000  0.91122900  1
  Cr  Cr27  1  0.30273900  0.50000000  0.58877100  1
  Cr  Cr28  1  0.19726100  0.50000000  0.91122900  1
  Cr  Cr29  1  0.69726100  0.50000000  0.58877100  1
  Cr  Cr30  1  0.88927200  0.50000000  0.68451200  1
  Cr  Cr31  1  0.38927200  0.50000000  0.81548800  1
  Cr  Cr32  1  0.11072800  0.50000000  0.68451200  1
  Cr  Cr33  1  0.61072800  0.50000000  0.81548800  1
  Cr  Cr34  1  0.25000000  0.75000000  0.75000000  1
  Cr  Cr35  1  0.25000000  0.25000000  0.75000000  1
  Cr  Cr36  1  0.38777400  0.87483400  0.81006800  1
  Cr  Cr37  1  0.88777400  0.12516600  0.68993200  1
  Cr  Cr38  1  0.61222600  0.12516600  0.81006800  1
  Cr  Cr39  1  0.11222600  0.87483400  0.68993200  1
  Cr  Cr40  1  0.11222600  0.12516600  0.68993200  1
  Cr  Cr41  1  0.61222600  0.87483400  0.81006800  1
  Cr  Cr42  1  0.88777400  0.87483400  0.68993200  1
  Cr  Cr43  1  0.38777400  0.12516600  0.81006800  1
  Cr  Cr44  1  0.30273900  0.00000000  0.91122900  1
  Cr  Cr45  1  0.80273900  0.00000000  0.58877100  1
  Cr  Cr46  1  0.69726100  0.00000000  0.91122900  1
  Cr  Cr47  1  0.19726100  0.00000000  0.58877100  1
  Cr  Cr48  1  0.38927200  0.00000000  0.68451200  1
  Cr  Cr49  1  0.88927200  0.00000000  0.81548800  1
  Cr  Cr50  1  0.61072800  0.00000000  0.68451200  1
  Cr  Cr51  1  0.11072800  0.00000000  0.81548800  1
  Cr  Cr52  1  0.75000000  0.25000000  0.75000000  1
  Cr  Cr53  1  0.75000000  0.75000000  0.75000000  1
  Cr  Cr54  1  0.38777400  0.37483400  0.31006800  1
  Cr  Cr55  1  0.88777400  0.62516600  0.18993200  1
  Cr  Cr56  1  0.61222600  0.62516600  0.31006800  1
  Cr  Cr57  1  0.11222600  0.37483400  0.18993200  1
  Cr  Cr58  1  0.11222600  0.62516600  0.18993200  1
  Cr  Cr59  1  0.61222600  0.37483400  0.31006800  1
  Cr  Cr60  1  0.88777400  0.37483400  0.18993200  1
  Cr  Cr61  1  0.38777400  0.62516600  0.31006800  1
  Cr  Cr62  1  0.30273900  0.50000000  0.41122900  1
  Cr  Cr63  1  0.80273900  0.50000000  0.08877100  1
  Cr  Cr64  1  0.69726100  0.50000000  0.41122900  1
  Cr  Cr65  1  0.19726100  0.50000000  0.08877100  1
  Cr  Cr66  1  0.38927200  0.50000000  0.18451200  1
  Cr  Cr67  1  0.88927200  0.50000000  0.31548800  1
  Cr  Cr68  1  0.61072800  0.50000000  0.18451200  1
  Cr  Cr69  1  0.11072800  0.50000000  0.31548800  1
  Cr  Cr70  1  0.75000000  0.75000000  0.25000000  1
  Cr  Cr71  1  0.75000000  0.25000000  0.25000000  1
  N  N72  1  0.31712400  0.30285200  0.30135700  1
  N  N73  1  0.31712400  0.19714800  0.19864300  1
  N  N74  1  0.18287600  0.19714800  0.30135700  1
  N  N75  1  0.18287600  0.30285200  0.19864300  1
  N  N76  1  0.18287600  0.69714800  0.19864300  1
  N  N77  1  0.18287600  0.80285200  0.30135700  1
  N  N78  1  0.31712400  0.80285200  0.19864300  1
  N  N79  1  0.31712400  0.69714800  0.30135700  1
  N  N80  1  0.87577500  0.92923700  0.23926800  1
  N  N81  1  0.37577500  0.07076300  0.26073200  1
  N  N82  1  0.12422500  0.07076300  0.23926800  1
  N  N83  1  0.62422500  0.92923700  0.26073200  1
  N  N84  1  0.62422500  0.07076300  0.26073200  1
  N  N85  1  0.12422500  0.92923700  0.23926800  1
  N  N86  1  0.37577500  0.92923700  0.26073200  1
  N  N87  1  0.87577500  0.07076300  0.23926800  1
  N  N88  1  0.85604000  0.92583300  0.37965100  1
  N  N89  1  0.35604000  0.07416700  0.12034900  1
  N  N90  1  0.14396000  0.07416700  0.37965100  1
  N  N91  1  0.64396000  0.92583300  0.12034900  1
  N  N92  1  0.64396000  0.07416700  0.12034900  1
  N  N93  1  0.14396000  0.92583300  0.37965100  1
  N  N94  1  0.35604000  0.92583300  0.12034900  1
  N  N95  1  0.85604000  0.07416700  0.37965100  1
  N  N96  1  0.00000000  0.84964500  0.31748600  1
  N  N97  1  0.50000000  0.15035500  0.18251400  1
  N  N98  1  0.00000000  0.15035500  0.31748600  1
  N  N99  1  0.50000000  0.84964500  0.18251400  1
  N  N100  1  0.80735300  0.00000000  0.12006500  1
  N  N101  1  0.30735300  0.00000000  0.37993500  1
  N  N102  1  0.19264700  0.00000000  0.12006500  1
  N  N103  1  0.69264700  0.00000000  0.37993500  1
  N  N104  1  0.30530200  0.00000000  0.00000000  1
  N  N105  1  0.69469800  0.00000000  0.00000000  1
  N  N106  1  0.00000000  0.00000000  0.15362700  1
  N  N107  1  0.50000000  0.00000000  0.34637300  1
  N  N108  1  0.31712400  0.80285200  0.80135700  1
  N  N109  1  0.31712400  0.69714800  0.69864300  1
  N  N110  1  0.18287600  0.69714800  0.80135700  1
  N  N111  1  0.18287600  0.80285200  0.69864300  1
  N  N112  1  0.18287600  0.19714800  0.69864300  1
  N  N113  1  0.18287600  0.30285200  0.80135700  1
  N  N114  1  0.31712400  0.30285200  0.69864300  1
  N  N115  1  0.31712400  0.19714800  0.80135700  1
  N  N116  1  0.87577500  0.42923700  0.73926800  1
  N  N117  1  0.37577500  0.57076300  0.76073200  1
  N  N118  1  0.12422500  0.57076300  0.73926800  1
  N  N119  1  0.62422500  0.42923700  0.76073200  1
  N  N120  1  0.62422500  0.57076300  0.76073200  1
  N  N121  1  0.12422500  0.42923700  0.73926800  1
  N  N122  1  0.37577500  0.42923700  0.76073200  1
  N  N123  1  0.87577500  0.57076300  0.73926800  1
  N  N124  1  0.85604000  0.42583300  0.87965100  1
  N  N125  1  0.35604000  0.57416700  0.62034900  1
  N  N126  1  0.14396000  0.57416700  0.87965100  1
  N  N127  1  0.64396000  0.42583300  0.62034900  1
  N  N128  1  0.64396000  0.57416700  0.62034900  1
  N  N129  1  0.14396000  0.42583300  0.87965100  1
  N  N130  1  0.35604000  0.42583300  0.62034900  1
  N  N131  1  0.85604000  0.57416700  0.87965100  1
  N  N132  1  0.00000000  0.34964500  0.81748600  1
  N  N133  1  0.50000000  0.65035500  0.68251400  1
  N  N134  1  0.00000000  0.65035500  0.81748600  1
  N  N135  1  0.50000000  0.34964500  0.68251400  1
  N  N136  1  0.80735300  0.50000000  0.62006500  1
  N  N137  1  0.30735300  0.50000000  0.87993500  1
  N  N138  1  0.19264700  0.50000000  0.62006500  1
  N  N139  1  0.69264700  0.50000000  0.87993500  1
  N  N140  1  0.30530200  0.50000000  0.50000000  1
  N  N141  1  0.69469800  0.50000000  0.50000000  1
  N  N142  1  0.00000000  0.50000000  0.65362700  1
  N  N143  1  0.50000000  0.50000000  0.84637300  1
  N  N144  1  0.81712400  0.30285200  0.80135700  1
  N  N145  1  0.81712400  0.19714800  0.69864300  1
  N  N146  1  0.68287600  0.19714800  0.80135700  1
  N  N147  1  0.68287600  0.30285200  0.69864300  1
  N  N148  1  0.68287600  0.69714800  0.69864300  1
  N  N149  1  0.68287600  0.80285200  0.80135700  1
  N  N150  1  0.81712400  0.80285200  0.69864300  1
  N  N151  1  0.81712400  0.69714800  0.80135700  1
  N  N152  1  0.37577500  0.92923700  0.73926800  1
  N  N153  1  0.87577500  0.07076300  0.76073200  1
  N  N154  1  0.62422500  0.07076300  0.73926800  1
  N  N155  1  0.12422500  0.92923700  0.76073200  1
  N  N156  1  0.12422500  0.07076300  0.76073200  1
  N  N157  1  0.62422500  0.92923700  0.73926800  1
  N  N158  1  0.87577500  0.92923700  0.76073200  1
  N  N159  1  0.37577500  0.07076300  0.73926800  1
  N  N160  1  0.35604000  0.92583300  0.87965100  1
  N  N161  1  0.85604000  0.07416700  0.62034900  1
  N  N162  1  0.64396000  0.07416700  0.87965100  1
  N  N163  1  0.14396000  0.92583300  0.62034900  1
  N  N164  1  0.14396000  0.07416700  0.62034900  1
  N  N165  1  0.64396000  0.92583300  0.87965100  1
  N  N166  1  0.85604000  0.92583300  0.62034900  1
  N  N167  1  0.35604000  0.07416700  0.87965100  1
  N  N168  1  0.50000000  0.84964500  0.81748600  1
  N  N169  1  0.00000000  0.15035500  0.68251400  1
  N  N170  1  0.50000000  0.15035500  0.81748600  1
  N  N171  1  0.00000000  0.84964500  0.68251400  1
  N  N172  1  0.30735300  0.00000000  0.62006500  1
  N  N173  1  0.80735300  0.00000000  0.87993500  1
  N  N174  1  0.69264700  0.00000000  0.62006500  1
  N  N175  1  0.19264700  0.00000000  0.87993500  1
  N  N176  1  0.80530200  0.00000000  0.50000000  1
  N  N177  1  0.19469800  0.00000000  0.50000000  1
  N  N178  1  0.50000000  0.00000000  0.65362700  1
  N  N179  1  0.00000000  0.00000000  0.84637300  1
  N  N180  1  0.81712400  0.80285200  0.30135700  1
  N  N181  1  0.81712400  0.69714800  0.19864300  1
  N  N182  1  0.68287600  0.69714800  0.30135700  1
  N  N183  1  0.68287600  0.80285200  0.19864300  1
  N  N184  1  0.68287600  0.19714800  0.19864300  1
  N  N185  1  0.68287600  0.30285200  0.30135700  1
  N  N186  1  0.81712400  0.30285200  0.19864300  1
  N  N187  1  0.81712400  0.19714800  0.30135700  1
  N  N188  1  0.37577500  0.42923700  0.23926800  1
  N  N189  1  0.87577500  0.57076300  0.26073200  1
  N  N190  1  0.62422500  0.57076300  0.23926800  1
  N  N191  1  0.12422500  0.42923700  0.26073200  1
  N  N192  1  0.12422500  0.57076300  0.26073200  1
  N  N193  1  0.62422500  0.42923700  0.23926800  1
  N  N194  1  0.87577500  0.42923700  0.26073200  1
  N  N195  1  0.37577500  0.57076300  0.23926800  1
  N  N196  1  0.35604000  0.42583300  0.37965100  1
  N  N197  1  0.85604000  0.57416700  0.12034900  1
  N  N198  1  0.64396000  0.57416700  0.37965100  1
  N  N199  1  0.14396000  0.42583300  0.12034900  1
  N  N200  1  0.14396000  0.57416700  0.12034900  1
  N  N201  1  0.64396000  0.42583300  0.37965100  1
  N  N202  1  0.85604000  0.42583300  0.12034900  1
  N  N203  1  0.35604000  0.57416700  0.37965100  1
  N  N204  1  0.50000000  0.34964500  0.31748600  1
  N  N205  1  0.00000000  0.65035500  0.18251400  1
  N  N206  1  0.50000000  0.65035500  0.31748600  1
  N  N207  1  0.00000000  0.34964500  0.18251400  1
  N  N208  1  0.30735300  0.50000000  0.12006500  1
  N  N209  1  0.80735300  0.50000000  0.37993500  1
  N  N210  1  0.69264700  0.50000000  0.12006500  1
  N  N211  1  0.19264700  0.50000000  0.37993500  1
  N  N212  1  0.80530200  0.50000000  0.00000000  1
  N  N213  1  0.19469800  0.50000000  0.00000000  1
  N  N214  1  0.50000000  0.50000000  0.15362700  1
  N  N215  1  0.00000000  0.50000000  0.34637300  1
