# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83280552
_cell_length_b   10.83280552
_cell_length_c   22.75294326
_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   'Cr32 N64'
_cell_volume   2670.05050673
_cell_formula_units_Z   32
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  0.34130700  0.15091200  0.17887500  1
  Cr  Cr1  1  0.65869300  0.84908800  0.17887500  1
  Cr  Cr2  1  0.34130700  0.65091200  0.07112500  1
  Cr  Cr3  1  0.65869300  0.34908800  0.07112500  1
  Cr  Cr4  1  0.65869300  0.15091200  0.17887500  1
  Cr  Cr5  1  0.34130700  0.84908800  0.17887500  1
  Cr  Cr6  1  0.65869300  0.65091200  0.07112500  1
  Cr  Cr7  1  0.34130700  0.34908800  0.07112500  1
  Cr  Cr8  1  0.65091200  0.84130700  0.32112500  1
  Cr  Cr9  1  0.34908800  0.15869300  0.32112500  1
  Cr  Cr10  1  0.15091200  0.84130700  0.42887500  1
  Cr  Cr11  1  0.84908800  0.15869300  0.42887500  1
  Cr  Cr12  1  0.34908800  0.84130700  0.32112500  1
  Cr  Cr13  1  0.65091200  0.15869300  0.32112500  1
  Cr  Cr14  1  0.84908800  0.84130700  0.42887500  1
  Cr  Cr15  1  0.15091200  0.15869300  0.42887500  1
  Cr  Cr16  1  0.84130700  0.65091200  0.67887500  1
  Cr  Cr17  1  0.15869300  0.34908800  0.67887500  1
  Cr  Cr18  1  0.84130700  0.15091200  0.57112500  1
  Cr  Cr19  1  0.15869300  0.84908800  0.57112500  1
  Cr  Cr20  1  0.15869300  0.65091200  0.67887500  1
  Cr  Cr21  1  0.84130700  0.34908800  0.67887500  1
  Cr  Cr22  1  0.15869300  0.15091200  0.57112500  1
  Cr  Cr23  1  0.84130700  0.84908800  0.57112500  1
  Cr  Cr24  1  0.15091200  0.34130700  0.82112500  1
  Cr  Cr25  1  0.84908800  0.65869300  0.82112500  1
  Cr  Cr26  1  0.65091200  0.34130700  0.92887500  1
  Cr  Cr27  1  0.34908800  0.65869300  0.92887500  1
  Cr  Cr28  1  0.84908800  0.34130700  0.82112500  1
  Cr  Cr29  1  0.15091200  0.65869300  0.82112500  1
  Cr  Cr30  1  0.34908800  0.34130700  0.92887500  1
  Cr  Cr31  1  0.65091200  0.65869300  0.92887500  1
  N  N32  1  0.30290200  0.19709800  0.25000000  1
  N  N33  1  0.69709800  0.80290200  0.25000000  1
  N  N34  1  0.30290200  0.69709800  0.00000000  1
  N  N35  1  0.69709800  0.30290200  0.00000000  1
  N  N36  1  0.69709800  0.19709800  0.25000000  1
  N  N37  1  0.30290200  0.80290200  0.25000000  1
  N  N38  1  0.69709800  0.69709800  0.00000000  1
  N  N39  1  0.30290200  0.30290200  0.00000000  1
  N  N40  1  0.50000000  0.34832600  0.07408600  1
  N  N41  1  0.50000000  0.65167400  0.07408600  1
  N  N42  1  0.50000000  0.84832600  0.17591400  1
  N  N43  1  0.50000000  0.15167400  0.17591400  1
  N  N44  1  0.84832600  0.00000000  0.42591400  1
  N  N45  1  0.15167400  0.00000000  0.42591400  1
  N  N46  1  0.34832600  0.00000000  0.32408600  1
  N  N47  1  0.65167400  0.00000000  0.32408600  1
  N  N48  1  0.70635100  0.50000000  0.08159500  1
  N  N49  1  0.29364900  0.50000000  0.08159500  1
  N  N50  1  0.70635100  0.00000000  0.16840500  1
  N  N51  1  0.29364900  0.00000000  0.16840500  1
  N  N52  1  0.00000000  0.20635100  0.41840500  1
  N  N53  1  0.00000000  0.79364900  0.41840500  1
  N  N54  1  0.50000000  0.20635100  0.33159500  1
  N  N55  1  0.50000000  0.79364900  0.33159500  1
  N  N56  1  0.28758000  0.25000000  0.12500000  1
  N  N57  1  0.71242000  0.75000000  0.12500000  1
  N  N58  1  0.28758000  0.75000000  0.12500000  1
  N  N59  1  0.71242000  0.25000000  0.12500000  1
  N  N60  1  0.75000000  0.78758000  0.37500000  1
  N  N61  1  0.25000000  0.21242000  0.37500000  1
  N  N62  1  0.25000000  0.78758000  0.37500000  1
  N  N63  1  0.75000000  0.21242000  0.37500000  1
  N  N64  1  0.80290200  0.69709800  0.75000000  1
  N  N65  1  0.19709800  0.30290200  0.75000000  1
  N  N66  1  0.80290200  0.19709800  0.50000000  1
  N  N67  1  0.19709800  0.80290200  0.50000000  1
  N  N68  1  0.19709800  0.69709800  0.75000000  1
  N  N69  1  0.80290200  0.30290200  0.75000000  1
  N  N70  1  0.19709800  0.19709800  0.50000000  1
  N  N71  1  0.80290200  0.80290200  0.50000000  1
  N  N72  1  0.00000000  0.84832600  0.57408600  1
  N  N73  1  0.00000000  0.15167400  0.57408600  1
  N  N74  1  0.00000000  0.34832600  0.67591400  1
  N  N75  1  0.00000000  0.65167400  0.67591400  1
  N  N76  1  0.34832600  0.50000000  0.92591400  1
  N  N77  1  0.65167400  0.50000000  0.92591400  1
  N  N78  1  0.84832600  0.50000000  0.82408600  1
  N  N79  1  0.15167400  0.50000000  0.82408600  1
  N  N80  1  0.20635100  0.00000000  0.58159500  1
  N  N81  1  0.79364900  0.00000000  0.58159500  1
  N  N82  1  0.20635100  0.50000000  0.66840500  1
  N  N83  1  0.79364900  0.50000000  0.66840500  1
  N  N84  1  0.50000000  0.70635100  0.91840500  1
  N  N85  1  0.50000000  0.29364900  0.91840500  1
  N  N86  1  0.00000000  0.70635100  0.83159500  1
  N  N87  1  0.00000000  0.29364900  0.83159500  1
  N  N88  1  0.78758000  0.75000000  0.62500000  1
  N  N89  1  0.21242000  0.25000000  0.62500000  1
  N  N90  1  0.78758000  0.25000000  0.62500000  1
  N  N91  1  0.21242000  0.75000000  0.62500000  1
  N  N92  1  0.25000000  0.28758000  0.87500000  1
  N  N93  1  0.75000000  0.71242000  0.87500000  1
  N  N94  1  0.75000000  0.28758000  0.87500000  1
  N  N95  1  0.25000000  0.71242000  0.87500000  1
