# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10525842
_cell_length_b   15.39067955
_cell_length_c   20.54072193
_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   'Cr36 N72'
_cell_volume   2562.36129262
_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  0.29345300  0.29827800  0.82382600  1
  Cr  Cr1  1  0.70654700  0.70172200  0.82382600  1
  Cr  Cr2  1  0.70654700  0.29827800  0.17617400  1
  Cr  Cr3  1  0.29345300  0.70172200  0.17617400  1
  Cr  Cr4  1  0.70654700  0.70172200  0.17617400  1
  Cr  Cr5  1  0.29345300  0.29827800  0.17617400  1
  Cr  Cr6  1  0.29345300  0.70172200  0.82382600  1
  Cr  Cr7  1  0.70654700  0.29827800  0.82382600  1
  Cr  Cr8  1  0.20878000  0.50000000  0.77056600  1
  Cr  Cr9  1  0.79122000  0.50000000  0.77056600  1
  Cr  Cr10  1  0.79122000  0.50000000  0.22943400  1
  Cr  Cr11  1  0.20878000  0.50000000  0.22943400  1
  Cr  Cr12  1  0.00000000  0.79728200  0.08313400  1
  Cr  Cr13  1  0.00000000  0.20271800  0.08313400  1
  Cr  Cr14  1  0.00000000  0.79728200  0.91686600  1
  Cr  Cr15  1  0.00000000  0.20271800  0.91686600  1
  Cr  Cr16  1  0.50000000  0.50000000  0.65108600  1
  Cr  Cr17  1  0.50000000  0.50000000  0.34891400  1
  Cr  Cr18  1  0.79345300  0.79827800  0.32382600  1
  Cr  Cr19  1  0.20654700  0.20172200  0.32382600  1
  Cr  Cr20  1  0.20654700  0.79827800  0.67617400  1
  Cr  Cr21  1  0.79345300  0.20172200  0.67617400  1
  Cr  Cr22  1  0.20654700  0.20172200  0.67617400  1
  Cr  Cr23  1  0.79345300  0.79827800  0.67617400  1
  Cr  Cr24  1  0.79345300  0.20172200  0.32382600  1
  Cr  Cr25  1  0.20654700  0.79827800  0.32382600  1
  Cr  Cr26  1  0.70878000  0.00000000  0.27056600  1
  Cr  Cr27  1  0.29122000  0.00000000  0.27056600  1
  Cr  Cr28  1  0.29122000  0.00000000  0.72943400  1
  Cr  Cr29  1  0.70878000  0.00000000  0.72943400  1
  Cr  Cr30  1  0.50000000  0.29728200  0.58313400  1
  Cr  Cr31  1  0.50000000  0.70271800  0.58313400  1
  Cr  Cr32  1  0.50000000  0.29728200  0.41686600  1
  Cr  Cr33  1  0.50000000  0.70271800  0.41686600  1
  Cr  Cr34  1  0.00000000  0.00000000  0.15108600  1
  Cr  Cr35  1  0.00000000  0.00000000  0.84891400  1
  N  N36  1  0.00000000  0.50000000  0.75186300  1
  N  N37  1  0.00000000  0.50000000  0.24813700  1
  N  N38  1  0.00000000  0.78170100  0.00000000  1
  N  N39  1  0.00000000  0.21829900  0.00000000  1
  N  N40  1  0.50000000  0.40563100  0.60342200  1
  N  N41  1  0.50000000  0.59436900  0.60342200  1
  N  N42  1  0.50000000  0.40563100  0.39657800  1
  N  N43  1  0.50000000  0.59436900  0.39657800  1
  N  N44  1  0.75000000  0.75000000  0.25000000  1
  N  N45  1  0.75000000  0.75000000  0.75000000  1
  N  N46  1  0.25000000  0.75000000  0.75000000  1
  N  N47  1  0.25000000  0.75000000  0.25000000  1
  N  N48  1  0.32960700  0.50000000  0.70034400  1
  N  N49  1  0.67039300  0.50000000  0.70034400  1
  N  N50  1  0.67039300  0.50000000  0.29965600  1
  N  N51  1  0.32960700  0.50000000  0.29965600  1
  N  N52  1  0.50000000  0.71611200  0.15872300  1
  N  N53  1  0.50000000  0.28388800  0.15872300  1
  N  N54  1  0.50000000  0.71611200  0.84127700  1
  N  N55  1  0.50000000  0.28388800  0.84127700  1
  N  N56  1  0.82834500  0.74613900  0.11599400  1
  N  N57  1  0.17165500  0.25386100  0.11599400  1
  N  N58  1  0.17165500  0.74613900  0.88400600  1
  N  N59  1  0.82834500  0.25386100  0.88400600  1
  N  N60  1  0.17165500  0.25386100  0.88400600  1
  N  N61  1  0.82834500  0.74613900  0.88400600  1
  N  N62  1  0.82834500  0.25386100  0.11599400  1
  N  N63  1  0.17165500  0.74613900  0.11599400  1
  N  N64  1  0.25437000  0.40854000  0.81527400  1
  N  N65  1  0.74563000  0.59146000  0.81527400  1
  N  N66  1  0.74563000  0.40854000  0.18472600  1
  N  N67  1  0.25437000  0.59146000  0.18472600  1
  N  N68  1  0.74563000  0.59146000  0.18472600  1
  N  N69  1  0.25437000  0.40854000  0.18472600  1
  N  N70  1  0.25437000  0.59146000  0.81527400  1
  N  N71  1  0.74563000  0.40854000  0.81527400  1
  N  N72  1  0.50000000  0.00000000  0.25186300  1
  N  N73  1  0.50000000  0.00000000  0.74813700  1
  N  N74  1  0.50000000  0.28170100  0.50000000  1
  N  N75  1  0.50000000  0.71829900  0.50000000  1
  N  N76  1  0.00000000  0.90563100  0.10342200  1
  N  N77  1  0.00000000  0.09436900  0.10342200  1
  N  N78  1  0.00000000  0.90563100  0.89657800  1
  N  N79  1  0.00000000  0.09436900  0.89657800  1
  N  N80  1  0.25000000  0.25000000  0.75000000  1
  N  N81  1  0.25000000  0.25000000  0.25000000  1
  N  N82  1  0.75000000  0.25000000  0.25000000  1
  N  N83  1  0.75000000  0.25000000  0.75000000  1
  N  N84  1  0.82960700  0.00000000  0.20034400  1
  N  N85  1  0.17039300  0.00000000  0.20034400  1
  N  N86  1  0.17039300  0.00000000  0.79965600  1
  N  N87  1  0.82960700  0.00000000  0.79965600  1
  N  N88  1  0.00000000  0.21611200  0.65872300  1
  N  N89  1  0.00000000  0.78388800  0.65872300  1
  N  N90  1  0.00000000  0.21611200  0.34127700  1
  N  N91  1  0.00000000  0.78388800  0.34127700  1
  N  N92  1  0.32834500  0.24613900  0.61599400  1
  N  N93  1  0.67165500  0.75386100  0.61599400  1
  N  N94  1  0.67165500  0.24613900  0.38400600  1
  N  N95  1  0.32834500  0.75386100  0.38400600  1
  N  N96  1  0.67165500  0.75386100  0.38400600  1
  N  N97  1  0.32834500  0.24613900  0.38400600  1
  N  N98  1  0.32834500  0.75386100  0.61599400  1
  N  N99  1  0.67165500  0.24613900  0.61599400  1
  N  N100  1  0.75437000  0.90854000  0.31527400  1
  N  N101  1  0.24563000  0.09146000  0.31527400  1
  N  N102  1  0.24563000  0.90854000  0.68472600  1
  N  N103  1  0.75437000  0.09146000  0.68472600  1
  N  N104  1  0.24563000  0.09146000  0.68472600  1
  N  N105  1  0.75437000  0.90854000  0.68472600  1
  N  N106  1  0.75437000  0.09146000  0.31527400  1
  N  N107  1  0.24563000  0.90854000  0.31527400  1
