# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.00438750
_cell_length_b   9.16380428
_cell_length_c   13.52375021
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.57469427
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr56 N112'
_cell_volume   3940.01366642
_cell_formula_units_Z   56
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  0.94845100  0.18783400  0.07223300  1
  Cr  Cr1  1  0.94845100  0.81216600  0.07223300  1
  Cr  Cr2  1  0.55154900  0.31216600  0.92776700  1
  Cr  Cr3  1  0.55154900  0.68783400  0.92776700  1
  Cr  Cr4  1  0.80858700  0.18334900  0.87358300  1
  Cr  Cr5  1  0.80858700  0.81665100  0.87358300  1
  Cr  Cr6  1  0.69141300  0.31665100  0.12641700  1
  Cr  Cr7  1  0.69141300  0.68334900  0.12641700  1
  Cr  Cr8  1  0.85904700  0.31450700  0.10762600  1
  Cr  Cr9  1  0.85904700  0.68549300  0.10762600  1
  Cr  Cr10  1  0.64095300  0.18549300  0.89237400  1
  Cr  Cr11  1  0.64095300  0.81450700  0.89237400  1
  Cr  Cr12  1  0.95336300  0.31191800  0.84016500  1
  Cr  Cr13  1  0.95336300  0.68808200  0.84016500  1
  Cr  Cr14  1  0.54663700  0.18808200  0.15983500  1
  Cr  Cr15  1  0.54663700  0.81191800  0.15983500  1
  Cr  Cr16  1  0.86235600  0.18533500  0.68991200  1
  Cr  Cr17  1  0.86235600  0.81466500  0.68991200  1
  Cr  Cr18  1  0.63764400  0.31466500  0.31008800  1
  Cr  Cr19  1  0.63764400  0.68533500  0.31008800  1
  Cr  Cr20  1  0.70982600  0.68620800  0.76329000  1
  Cr  Cr21  1  0.70982600  0.31379200  0.76329000  1
  Cr  Cr22  1  0.79017400  0.81379200  0.23671000  1
  Cr  Cr23  1  0.79017400  0.18620800  0.23671000  1
  Cr  Cr24  1  0.79544400  0.31363200  0.47418100  1
  Cr  Cr25  1  0.79544400  0.68636800  0.47418100  1
  Cr  Cr26  1  0.70455600  0.18636800  0.52581900  1
  Cr  Cr27  1  0.70455600  0.81363200  0.52581900  1
  Cr  Cr28  1  0.44845100  0.68783400  0.07223300  1
  Cr  Cr29  1  0.44845100  0.31216600  0.07223300  1
  Cr  Cr30  1  0.05154900  0.81216600  0.92776700  1
  Cr  Cr31  1  0.05154900  0.18783400  0.92776700  1
  Cr  Cr32  1  0.30858700  0.68334900  0.87358300  1
  Cr  Cr33  1  0.30858700  0.31665100  0.87358300  1
  Cr  Cr34  1  0.19141300  0.81665100  0.12641700  1
  Cr  Cr35  1  0.19141300  0.18334900  0.12641700  1
  Cr  Cr36  1  0.35904700  0.81450700  0.10762600  1
  Cr  Cr37  1  0.35904700  0.18549300  0.10762600  1
  Cr  Cr38  1  0.14095300  0.68549300  0.89237400  1
  Cr  Cr39  1  0.14095300  0.31450700  0.89237400  1
  Cr  Cr40  1  0.45336300  0.81191800  0.84016500  1
  Cr  Cr41  1  0.45336300  0.18808200  0.84016500  1
  Cr  Cr42  1  0.04663700  0.68808200  0.15983500  1
  Cr  Cr43  1  0.04663700  0.31191800  0.15983500  1
  Cr  Cr44  1  0.36235600  0.68533500  0.68991200  1
  Cr  Cr45  1  0.36235600  0.31466500  0.68991200  1
  Cr  Cr46  1  0.13764400  0.81466500  0.31008800  1
  Cr  Cr47  1  0.13764400  0.18533500  0.31008800  1
  Cr  Cr48  1  0.20982600  0.18620800  0.76329000  1
  Cr  Cr49  1  0.20982600  0.81379200  0.76329000  1
  Cr  Cr50  1  0.29017400  0.31379200  0.23671000  1
  Cr  Cr51  1  0.29017400  0.68620800  0.23671000  1
  Cr  Cr52  1  0.29544400  0.81363200  0.47418100  1
  Cr  Cr53  1  0.29544400  0.18636800  0.47418100  1
  Cr  Cr54  1  0.20455600  0.68636800  0.52581900  1
  Cr  Cr55  1  0.20455600  0.31363200  0.52581900  1
  N  N56  1  0.94853800  0.00000000  0.05518400  1
  N  N57  1  0.55146200  0.50000000  0.94481600  1
  N  N58  1  0.81244400  0.00000000  0.90444900  1
  N  N59  1  0.68755600  0.50000000  0.09555100  1
  N  N60  1  0.86462700  0.50000000  0.13098200  1
  N  N61  1  0.63537300  0.00000000  0.86901800  1
  N  N62  1  0.95491500  0.50000000  0.82661800  1
  N  N63  1  0.54508500  0.00000000  0.17338200  1
  N  N64  1  0.86144400  0.00000000  0.66565400  1
  N  N65  1  0.63855600  0.50000000  0.33434600  1
  N  N66  1  0.71728800  0.50000000  0.77928000  1
  N  N67  1  0.78271200  0.00000000  0.22072000  1
  N  N68  1  0.79113600  0.50000000  0.45251400  1
  N  N69  1  0.70886400  0.00000000  0.54748600  1
  N  N70  1  0.83492600  0.21294200  0.78055900  1
  N  N71  1  0.83492600  0.78705800  0.78055900  1
  N  N72  1  0.66507400  0.28705800  0.21944100  1
  N  N73  1  0.66507400  0.71294200  0.21944100  1
  N  N74  1  0.75597600  0.22639800  0.82726400  1
  N  N75  1  0.75597600  0.77360200  0.82726400  1
  N  N76  1  0.74402400  0.27360200  0.17273600  1
  N  N77  1  0.74402400  0.72639800  0.17273600  1
  N  N78  1  0.90834500  0.23351500  0.12554300  1
  N  N79  1  0.90834500  0.76648500  0.12554300  1
  N  N80  1  0.59165500  0.26648500  0.87445700  1
  N  N81  1  0.59165500  0.73351500  0.87445700  1
  N  N82  1  0.91399400  0.23991900  0.73967600  1
  N  N83  1  0.91399400  0.76008100  0.73967600  1
  N  N84  1  0.58600600  0.26008100  0.26032400  1
  N  N85  1  0.58600600  0.73991900  0.26032400  1
  N  N86  1  0.99714300  0.23852700  0.15016800  1
  N  N87  1  0.99714300  0.76147300  0.15016800  1
  N  N88  1  0.50285700  0.26147300  0.84983200  1
  N  N89  1  0.50285700  0.73852700  0.84983200  1
  N  N90  1  0.83041700  0.24122200  0.18555300  1
  N  N91  1  0.83041700  0.75877800  0.18555300  1
  N  N92  1  0.66958300  0.25877800  0.81444700  1
  N  N93  1  0.66958300  0.74122200  0.81444700  1
  N  N94  1  0.75000000  0.25000000  0.50000000  1
  N  N95  1  0.75000000  0.75000000  0.50000000  1
  N  N96  1  0.94141100  0.27277200  0.95342200  1
  N  N97  1  0.94141100  0.72722800  0.95342200  1
  N  N98  1  0.55858900  0.22722800  0.04657800  1
  N  N99  1  0.55858900  0.77277200  0.04657800  1
  N  N100  1  0.83776200  0.27890800  0.57784900  1
  N  N101  1  0.83776200  0.72109200  0.57784900  1
  N  N102  1  0.66223800  0.22109200  0.42215100  1
  N  N103  1  0.66223800  0.77890800  0.42215100  1
  N  N104  1  0.82997100  0.28662800  0.98295300  1
  N  N105  1  0.82997100  0.71337200  0.98295300  1
  N  N106  1  0.67002900  0.21337200  0.01704700  1
  N  N107  1  0.67002900  0.78662800  0.01704700  1
  N  N108  1  0.69730900  0.72817500  0.63416200  1
  N  N109  1  0.69730900  0.27182500  0.63416200  1
  N  N110  1  0.80269100  0.77182500  0.36583800  1
  N  N111  1  0.80269100  0.22817500  0.36583800  1
  N  N112  1  0.44853800  0.50000000  0.05518400  1
  N  N113  1  0.05146200  0.00000000  0.94481600  1
  N  N114  1  0.31244400  0.50000000  0.90444900  1
  N  N115  1  0.18755600  0.00000000  0.09555100  1
  N  N116  1  0.36462700  0.00000000  0.13098200  1
  N  N117  1  0.13537300  0.50000000  0.86901800  1
  N  N118  1  0.45491500  0.00000000  0.82661800  1
  N  N119  1  0.04508500  0.50000000  0.17338200  1
  N  N120  1  0.36144400  0.50000000  0.66565400  1
  N  N121  1  0.13855600  0.00000000  0.33434600  1
  N  N122  1  0.21728800  0.00000000  0.77928000  1
  N  N123  1  0.28271200  0.50000000  0.22072000  1
  N  N124  1  0.29113600  0.00000000  0.45251400  1
  N  N125  1  0.20886400  0.50000000  0.54748600  1
  N  N126  1  0.33492600  0.71294200  0.78055900  1
  N  N127  1  0.33492600  0.28705800  0.78055900  1
  N  N128  1  0.16507400  0.78705800  0.21944100  1
  N  N129  1  0.16507400  0.21294200  0.21944100  1
  N  N130  1  0.25597600  0.72639800  0.82726400  1
  N  N131  1  0.25597600  0.27360200  0.82726400  1
  N  N132  1  0.24402400  0.77360200  0.17273600  1
  N  N133  1  0.24402400  0.22639800  0.17273600  1
  N  N134  1  0.40834500  0.73351500  0.12554300  1
  N  N135  1  0.40834500  0.26648500  0.12554300  1
  N  N136  1  0.09165500  0.76648500  0.87445700  1
  N  N137  1  0.09165500  0.23351500  0.87445700  1
  N  N138  1  0.41399400  0.73991900  0.73967600  1
  N  N139  1  0.41399400  0.26008100  0.73967600  1
  N  N140  1  0.08600600  0.76008100  0.26032400  1
  N  N141  1  0.08600600  0.23991900  0.26032400  1
  N  N142  1  0.49714300  0.73852700  0.15016800  1
  N  N143  1  0.49714300  0.26147300  0.15016800  1
  N  N144  1  0.00285700  0.76147300  0.84983200  1
  N  N145  1  0.00285700  0.23852700  0.84983200  1
  N  N146  1  0.33041700  0.74122200  0.18555300  1
  N  N147  1  0.33041700  0.25877800  0.18555300  1
  N  N148  1  0.16958300  0.75877800  0.81444700  1
  N  N149  1  0.16958300  0.24122200  0.81444700  1
  N  N150  1  0.25000000  0.75000000  0.50000000  1
  N  N151  1  0.25000000  0.25000000  0.50000000  1
  N  N152  1  0.44141100  0.77277200  0.95342200  1
  N  N153  1  0.44141100  0.22722800  0.95342200  1
  N  N154  1  0.05858900  0.72722800  0.04657800  1
  N  N155  1  0.05858900  0.27277200  0.04657800  1
  N  N156  1  0.33776200  0.77890800  0.57784900  1
  N  N157  1  0.33776200  0.22109200  0.57784900  1
  N  N158  1  0.16223800  0.72109200  0.42215100  1
  N  N159  1  0.16223800  0.27890800  0.42215100  1
  N  N160  1  0.32997100  0.78662800  0.98295300  1
  N  N161  1  0.32997100  0.21337200  0.98295300  1
  N  N162  1  0.17002900  0.71337200  0.01704700  1
  N  N163  1  0.17002900  0.28662800  0.01704700  1
  N  N164  1  0.19730900  0.22817500  0.63416200  1
  N  N165  1  0.19730900  0.77182500  0.63416200  1
  N  N166  1  0.30269100  0.27182500  0.36583800  1
  N  N167  1  0.30269100  0.72817500  0.36583800  1
