# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.61129035
_cell_length_b   5.68266609
_cell_length_c   26.61598208
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.43906567
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr48 N96'
_cell_volume   3018.98248011
_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  0.04110400  0.98034900  0.06450600  1
  Cr  Cr1  1  0.54110400  0.51965100  0.56450600  1
  Cr  Cr2  1  0.20285400  0.51579500  0.23342600  1
  Cr  Cr3  1  0.70285400  0.98420500  0.73342600  1
  Cr  Cr4  1  0.41256300  0.47885300  0.12610100  1
  Cr  Cr5  1  0.41256300  0.52114700  0.62610100  1
  Cr  Cr6  1  0.57391100  0.97592300  0.29498500  1
  Cr  Cr7  1  0.57391100  0.02407700  0.79498500  1
  Cr  Cr8  1  0.42432600  0.97785400  0.20138000  1
  Cr  Cr9  1  0.42432600  0.02214600  0.70138000  1
  Cr  Cr10  1  0.26040000  0.52184500  0.03590000  1
  Cr  Cr11  1  0.76040000  0.97815500  0.53590000  1
  Cr  Cr12  1  0.29880000  0.01669100  0.26633200  1
  Cr  Cr13  1  0.79880000  0.48330900  0.76633200  1
  Cr  Cr14  1  0.13620200  0.48220900  0.10112500  1
  Cr  Cr15  1  0.63620200  0.01779100  0.60112500  1
  Cr  Cr16  1  0.36170500  0.01684800  0.39901400  1
  Cr  Cr17  1  0.86170500  0.48315200  0.89901400  1
  Cr  Cr18  1  0.45651600  0.51525700  0.43495000  1
  Cr  Cr19  1  0.95651600  0.98474300  0.93495000  1
  Cr  Cr20  1  0.23376200  0.97695000  0.46015800  1
  Cr  Cr21  1  0.73376200  0.52305000  0.96015800  1
  Cr  Cr22  1  0.58127000  0.47528600  0.36997900  1
  Cr  Cr23  1  0.58127000  0.52471400  0.86997900  1
  Cr  Cr24  1  0.54110400  0.48034900  0.06450600  1
  Cr  Cr25  1  0.04110400  0.01965100  0.56450600  1
  Cr  Cr26  1  0.70285400  0.01579500  0.23342600  1
  Cr  Cr27  1  0.20285400  0.48420500  0.73342600  1
  Cr  Cr28  1  0.91256300  0.97885300  0.12610100  1
  Cr  Cr29  1  0.91256300  0.02114700  0.62610100  1
  Cr  Cr30  1  0.07391100  0.47592300  0.29498500  1
  Cr  Cr31  1  0.07391100  0.52407700  0.79498500  1
  Cr  Cr32  1  0.92432600  0.47785400  0.20138000  1
  Cr  Cr33  1  0.92432600  0.52214600  0.70138000  1
  Cr  Cr34  1  0.76040000  0.02184500  0.03590000  1
  Cr  Cr35  1  0.26040000  0.47815500  0.53590000  1
  Cr  Cr36  1  0.79880000  0.51669100  0.26633200  1
  Cr  Cr37  1  0.29880000  0.98330900  0.76633200  1
  Cr  Cr38  1  0.63620200  0.98220900  0.10112500  1
  Cr  Cr39  1  0.13620200  0.51779100  0.60112500  1
  Cr  Cr40  1  0.86170500  0.51684800  0.39901400  1
  Cr  Cr41  1  0.36170500  0.98315200  0.89901400  1
  Cr  Cr42  1  0.95651600  0.01525700  0.43495000  1
  Cr  Cr43  1  0.45651600  0.48474300  0.93495000  1
  Cr  Cr44  1  0.73376200  0.47695000  0.46015800  1
  Cr  Cr45  1  0.23376200  0.02305000  0.96015800  1
  Cr  Cr46  1  0.08127000  0.97528600  0.36997900  1
  Cr  Cr47  1  0.08127000  0.02471400  0.86997900  1
  N  N48  1  0.57908600  0.71527300  0.33179200  1
  N  N49  1  0.57908600  0.28472700  0.83179200  1
  N  N50  1  0.57459700  0.21812800  0.33438100  1
  N  N51  1  0.57459700  0.78187200  0.83438100  1
  N  N52  1  0.74746400  0.78936600  0.99493200  1
  N  N53  1  0.74746400  0.21063400  0.49493200  1
  N  N54  1  0.24562600  0.78559200  0.00220000  1
  N  N55  1  0.74562600  0.71440800  0.50220000  1
  N  N56  1  0.41662000  0.71977900  0.16707700  1
  N  N57  1  0.41662000  0.28022100  0.66707700  1
  N  N58  1  0.41680200  0.21613600  0.16121200  1
  N  N59  1  0.41680200  0.78386400  0.66121200  1
  N  N60  1  0.40431500  0.27132500  0.42179500  1
  N  N61  1  0.90431500  0.22867500  0.92179500  1
  N  N62  1  0.41009000  0.77586900  0.41892500  1
  N  N63  1  0.91009000  0.72413100  0.91892500  1
  N  N64  1  0.25443500  0.28031900  0.25043900  1
  N  N65  1  0.75443500  0.21968100  0.75043900  1
  N  N66  1  0.24565400  0.77662600  0.25042800  1
  N  N67  1  0.74565400  0.72337400  0.75042800  1
  N  N68  1  0.09142900  0.22046600  0.08272200  1
  N  N69  1  0.59142900  0.27953400  0.58272200  1
  N  N70  1  0.08486800  0.72257700  0.08065400  1
  N  N71  1  0.58486800  0.77742300  0.58065400  1
  N  N72  1  0.47731000  0.48725700  0.09866000  1
  N  N73  1  0.47731000  0.51274300  0.59866000  1
  N  N74  1  0.33828000  0.50332700  0.07747200  1
  N  N75  1  0.33828000  0.49667300  0.57747200  1
  N  N76  1  0.16727000  0.50254400  0.16843900  1
  N  N77  1  0.66727000  0.99745600  0.66843900  1
  N  N78  1  0.13789700  0.49224600  0.26665400  1
  N  N79  1  0.63789700  0.00775400  0.76665400  1
  N  N80  1  0.35959400  0.99885100  0.23477000  1
  N  N81  1  0.85959400  0.50114900  0.73477000  1
  N  N82  1  0.33448200  0.02127700  0.33312200  1
  N  N83  1  0.83448200  0.47872300  0.83312200  1
  N  N84  1  0.49909500  0.97609800  0.24677400  1
  N  N85  1  0.49909500  0.02390200  0.74677400  1
  N  N86  1  0.65317800  0.47232300  0.41836800  1
  N  N87  1  0.65317800  0.52767700  0.91836800  1
  N  N88  1  0.51294900  0.49555500  0.39978900  1
  N  N89  1  0.51294900  0.50444500  0.89978900  1
  N  N90  1  0.00097700  0.98136900  0.00025600  1
  N  N91  1  0.50097700  0.51863100  0.50025600  1
  N  N92  1  0.20048400  0.49639500  0.07330000  1
  N  N93  1  0.70048400  0.00360500  0.57330000  1
  N  N94  1  0.29028400  0.99491000  0.42508100  1
  N  N95  1  0.79028400  0.50509000  0.92508100  1
  N  N96  1  0.07908600  0.21527300  0.33179200  1
  N  N97  1  0.07908600  0.78472700  0.83179200  1
  N  N98  1  0.07459700  0.71812800  0.33438100  1
  N  N99  1  0.07459700  0.28187200  0.83438100  1
  N  N100  1  0.24746400  0.28936600  0.99493200  1
  N  N101  1  0.24746400  0.71063400  0.49493200  1
  N  N102  1  0.74562600  0.28559200  0.00220000  1
  N  N103  1  0.24562600  0.21440800  0.50220000  1
  N  N104  1  0.91662000  0.21977900  0.16707700  1
  N  N105  1  0.91662000  0.78022100  0.66707700  1
  N  N106  1  0.91680200  0.71613600  0.16121200  1
  N  N107  1  0.91680200  0.28386400  0.66121200  1
  N  N108  1  0.90431500  0.77132500  0.42179500  1
  N  N109  1  0.40431500  0.72867500  0.92179500  1
  N  N110  1  0.91009000  0.27586900  0.41892500  1
  N  N111  1  0.41009000  0.22413100  0.91892500  1
  N  N112  1  0.75443500  0.78031900  0.25043900  1
  N  N113  1  0.25443500  0.71968100  0.75043900  1
  N  N114  1  0.74565400  0.27662600  0.25042800  1
  N  N115  1  0.24565400  0.22337400  0.75042800  1
  N  N116  1  0.59142900  0.72046600  0.08272200  1
  N  N117  1  0.09142900  0.77953400  0.58272200  1
  N  N118  1  0.58486800  0.22257700  0.08065400  1
  N  N119  1  0.08486800  0.27742300  0.58065400  1
  N  N120  1  0.97731000  0.98725700  0.09866000  1
  N  N121  1  0.97731000  0.01274300  0.59866000  1
  N  N122  1  0.83828000  0.00332700  0.07747200  1
  N  N123  1  0.83828000  0.99667300  0.57747200  1
  N  N124  1  0.66727000  0.00254400  0.16843900  1
  N  N125  1  0.16727000  0.49745600  0.66843900  1
  N  N126  1  0.63789700  0.99224600  0.26665400  1
  N  N127  1  0.13789700  0.50775400  0.76665400  1
  N  N128  1  0.85959400  0.49885100  0.23477000  1
  N  N129  1  0.35959400  0.00114900  0.73477000  1
  N  N130  1  0.83448200  0.52127700  0.33312200  1
  N  N131  1  0.33448200  0.97872300  0.83312200  1
  N  N132  1  0.99909500  0.47609800  0.24677400  1
  N  N133  1  0.99909500  0.52390200  0.74677400  1
  N  N134  1  0.15317800  0.97232300  0.41836800  1
  N  N135  1  0.15317800  0.02767700  0.91836800  1
  N  N136  1  0.01294900  0.99555500  0.39978900  1
  N  N137  1  0.01294900  0.00444500  0.89978900  1
  N  N138  1  0.50097700  0.48136900  0.00025600  1
  N  N139  1  0.00097700  0.01863100  0.50025600  1
  N  N140  1  0.70048400  0.99639500  0.07330000  1
  N  N141  1  0.20048400  0.50360500  0.57330000  1
  N  N142  1  0.79028400  0.49491000  0.42508100  1
  N  N143  1  0.29028400  0.00509000  0.92508100  1
