# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.78955077
_cell_length_b   14.78955077
_cell_length_c   16.00985659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr36 N72'
_cell_volume   3032.69013497
_cell_formula_units_Z   36
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  0.56139600  0.66656700  0.56242400  1
  Cr  Cr1  1  0.10517100  0.43860400  0.56242400  1
  Cr  Cr2  1  0.33343300  0.89482900  0.56242400  1
  Cr  Cr3  1  0.56139600  0.89482900  0.56242400  1
  Cr  Cr4  1  0.33343300  0.43860400  0.56242400  1
  Cr  Cr5  1  0.10517100  0.66656700  0.56242400  1
  Cr  Cr6  1  0.43860400  0.33343300  0.43757600  1
  Cr  Cr7  1  0.89482900  0.56139600  0.43757600  1
  Cr  Cr8  1  0.66656700  0.10517100  0.43757600  1
  Cr  Cr9  1  0.43860400  0.10517100  0.43757600  1
  Cr  Cr10  1  0.66656700  0.56139600  0.43757600  1
  Cr  Cr11  1  0.89482900  0.33343300  0.43757600  1
  Cr  Cr12  1  0.22806200  0.99990000  0.89575800  1
  Cr  Cr13  1  0.77183800  0.77193800  0.89575800  1
  Cr  Cr14  1  0.00010000  0.22816200  0.89575800  1
  Cr  Cr15  1  0.22806200  0.22816200  0.89575800  1
  Cr  Cr16  1  0.00010000  0.77193800  0.89575800  1
  Cr  Cr17  1  0.77183800  0.99990000  0.89575800  1
  Cr  Cr18  1  0.10527100  0.66676600  0.77090900  1
  Cr  Cr19  1  0.56149500  0.89472900  0.77090900  1
  Cr  Cr20  1  0.33323400  0.43850500  0.77090900  1
  Cr  Cr21  1  0.10527100  0.43850500  0.77090900  1
  Cr  Cr22  1  0.33323400  0.89472900  0.77090900  1
  Cr  Cr23  1  0.56149500  0.66676600  0.77090900  1
  Cr  Cr24  1  0.89472900  0.33323400  0.22909100  1
  Cr  Cr25  1  0.43850500  0.10527100  0.22909100  1
  Cr  Cr26  1  0.66676600  0.56149500  0.22909100  1
  Cr  Cr27  1  0.89472900  0.56149500  0.22909100  1
  Cr  Cr28  1  0.66676600  0.10527100  0.22909100  1
  Cr  Cr29  1  0.43850500  0.33323400  0.22909100  1
  Cr  Cr30  1  0.77193800  0.00010000  0.10424200  1
  Cr  Cr31  1  0.22816200  0.22806200  0.10424200  1
  Cr  Cr32  1  0.99990000  0.77183800  0.10424200  1
  Cr  Cr33  1  0.77193800  0.77183800  0.10424200  1
  Cr  Cr34  1  0.99990000  0.22806200  0.10424200  1
  Cr  Cr35  1  0.22816200  0.00010000  0.10424200  1
  N  N36  1  0.56916900  0.78458400  0.53952500  1
  N  N37  1  0.21541600  0.43083100  0.53952500  1
  N  N38  1  0.21541600  0.78458400  0.53952500  1
  N  N39  1  0.43083100  0.21541600  0.46047500  1
  N  N40  1  0.78458400  0.56916900  0.46047500  1
  N  N41  1  0.78458400  0.21541600  0.46047500  1
  N  N42  1  0.64254500  0.64254500  0.50000000  1
  N  N43  1  -0.00000000  0.35745500  0.50000000  1
  N  N44  1  0.35745500  0.00000000  0.50000000  1
  N  N45  1  0.64254500  0.00000000  0.50000000  1
  N  N46  1  0.35745500  0.35745500  0.50000000  1
  N  N47  1  -0.00000000  0.64254500  0.50000000  1
  N  N48  1  0.10214500  0.89785500  0.88324300  1
  N  N49  1  0.79570900  0.89785500  0.88324300  1
  N  N50  1  0.10214500  0.20429100  0.88324300  1
  N  N51  1  0.89785500  0.10214500  0.11675700  1
  N  N52  1  0.20429100  0.10214500  0.11675700  1
  N  N53  1  0.89785500  0.79570900  0.11675700  1
  N  N54  1  0.92503200  0.33333300  0.33333300  1
  N  N55  1  0.40830100  0.07496800  0.33333300  1
  N  N56  1  0.66666700  0.59169900  0.33333300  1
  N  N57  1  0.92503200  0.59169900  0.33333300  1
  N  N58  1  0.66666700  0.07496800  0.33333300  1
  N  N59  1  0.40830100  0.33333300  0.33333300  1
  N  N60  1  0.23583500  0.11791800  0.87285900  1
  N  N61  1  0.88208200  0.76416500  0.87285900  1
  N  N62  1  0.88208200  0.11791800  0.87285900  1
  N  N63  1  0.09749800  0.54874900  0.79380800  1
  N  N64  1  0.45125100  0.90250200  0.79380800  1
  N  N65  1  0.45125100  0.54874900  0.79380800  1
  N  N66  1  0.30921200  0.97587800  0.83333300  1
  N  N67  1  0.66666700  0.69078800  0.83333300  1
  N  N68  1  0.02412200  0.33333300  0.83333300  1
  N  N69  1  0.30921200  0.33333300  0.83333300  1
  N  N70  1  0.02412200  0.69078800  0.83333300  1
  N  N71  1  0.66666700  0.97587800  0.83333300  1
  N  N72  1  0.76881200  0.23118800  0.21657600  1
  N  N73  1  0.46237600  0.23118800  0.21657600  1
  N  N74  1  0.76881200  0.53762400  0.21657600  1
  N  N75  1  0.56452100  0.43547900  0.45009100  1
  N  N76  1  0.87095800  0.43547900  0.45009100  1
  N  N77  1  0.56452100  0.12904200  0.45009100  1
  N  N78  1  0.59169900  0.66666700  0.66666700  1
  N  N79  1  0.07496800  0.40830100  0.66666700  1
  N  N80  1  0.33333300  0.92503200  0.66666700  1
  N  N81  1  0.59169900  0.92503200  0.66666700  1
  N  N82  1  0.33333300  0.40830100  0.66666700  1
  N  N83  1  0.07496800  0.66666700  0.66666700  1
  N  N84  1  0.90250200  0.45125100  0.20619200  1
  N  N85  1  0.54874900  0.09749800  0.20619200  1
  N  N86  1  0.54874900  0.45125100  0.20619200  1
  N  N87  1  0.76416500  0.88208200  0.12714100  1
  N  N88  1  0.11791800  0.23583500  0.12714100  1
  N  N89  1  0.11791800  0.88208200  0.12714100  1
  N  N90  1  0.97587800  0.30921200  0.16666700  1
  N  N91  1  0.33333300  0.02412200  0.16666700  1
  N  N92  1  0.69078800  0.66666700  0.16666700  1
  N  N93  1  0.97587800  0.66666700  0.16666700  1
  N  N94  1  0.69078800  0.02412200  0.16666700  1
  N  N95  1  0.33333300  0.30921200  0.16666700  1
  N  N96  1  0.43547900  0.56452100  0.54990900  1
  N  N97  1  0.12904200  0.56452100  0.54990900  1
  N  N98  1  0.43547900  0.87095800  0.54990900  1
  N  N99  1  0.23118800  0.76881200  0.78342400  1
  N  N100  1  0.53762400  0.76881200  0.78342400  1
  N  N101  1  0.23118800  0.46237600  0.78342400  1
  N  N102  1  0.25836600  0.00000000  0.00000000  1
  N  N103  1  0.74163400  0.74163400  0.00000000  1
  N  N104  1  0.00000000  0.25836600  0.00000000  1
  N  N105  1  0.25836600  0.25836600  0.00000000  1
  N  N106  1  0.00000000  0.74163400  0.00000000  1
  N  N107  1  0.74163400  0.00000000  0.00000000  1
