# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58688105
_cell_length_b   10.58688105
_cell_length_c   11.04288470
_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   'Cr12 N24'
_cell_volume   1071.88757431
_cell_formula_units_Z   12
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  0.43044500  0.56955500  0.10503800  1
  Cr  Cr1  1  0.43044500  0.86089000  0.10503800  1
  Cr  Cr2  1  0.13911000  0.56955500  0.10503800  1
  Cr  Cr3  1  0.56955500  0.43044500  0.89496200  1
  Cr  Cr4  1  0.56955500  0.13911000  0.89496200  1
  Cr  Cr5  1  0.86089000  0.43044500  0.89496200  1
  Cr  Cr6  1  0.56955500  0.43044500  0.60503800  1
  Cr  Cr7  1  0.56955500  0.13911000  0.60503800  1
  Cr  Cr8  1  0.86089000  0.43044500  0.60503800  1
  Cr  Cr9  1  0.43044500  0.56955500  0.39496200  1
  Cr  Cr10  1  0.43044500  0.86089000  0.39496200  1
  Cr  Cr11  1  0.13911000  0.56955500  0.39496200  1
  N  N12  1  0.00000000  0.50000000  0.00000000  1
  N  N13  1  0.50000000  0.50000000  0.00000000  1
  N  N14  1  0.50000000  0.00000000  0.00000000  1
  N  N15  1  0.00000000  0.50000000  0.50000000  1
  N  N16  1  0.50000000  0.50000000  0.50000000  1
  N  N17  1  0.50000000  0.00000000  0.50000000  1
  N  N18  1  0.51373200  0.75686600  0.08449100  1
  N  N19  1  0.24313400  0.75686600  0.08449100  1
  N  N20  1  0.24313400  0.48626800  0.08449100  1
  N  N21  1  0.48626800  0.24313400  0.91550900  1
  N  N22  1  0.75686600  0.24313400  0.91550900  1
  N  N23  1  0.75686600  0.51373200  0.91550900  1
  N  N24  1  0.48626800  0.24313400  0.58449100  1
  N  N25  1  0.75686600  0.24313400  0.58449100  1
  N  N26  1  0.75686600  0.51373200  0.58449100  1
  N  N27  1  0.51373200  0.75686600  0.41550900  1
  N  N28  1  0.24313400  0.75686600  0.41550900  1
  N  N29  1  0.24313400  0.48626800  0.41550900  1
  N  N30  1  0.93401800  0.46700900  0.75000000  1
  N  N31  1  0.53299100  0.46700900  0.75000000  1
  N  N32  1  0.53299100  0.06598200  0.75000000  1
  N  N33  1  0.06598200  0.53299100  0.25000000  1
  N  N34  1  0.46700900  0.53299100  0.25000000  1
  N  N35  1  0.46700900  0.93401800  0.25000000  1
