# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18446940
_cell_length_b   9.18446940
_cell_length_c   10.17816146
_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   'Cr12 N24'
_cell_volume   858.57349858
_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  0.86132400  0.13867600  0.75000000  1
  Cr  Cr1  1  0.13867600  0.86132400  0.25000000  1
  Cr  Cr2  1  0.63867600  0.63867600  0.50000000  1
  Cr  Cr3  1  0.36132400  0.36132400  0.00000000  1
  Cr  Cr4  1  0.87604600  0.41874000  0.56801400  1
  Cr  Cr5  1  0.12395400  0.58126000  0.06801400  1
  Cr  Cr6  1  0.91874000  0.62395400  0.31801400  1
  Cr  Cr7  1  0.08126000  0.37604600  0.81801400  1
  Cr  Cr8  1  0.58126000  0.12395400  0.93198600  1
  Cr  Cr9  1  0.41874000  0.87604600  0.43198600  1
  Cr  Cr10  1  0.62395400  0.91874000  0.68198600  1
  Cr  Cr11  1  0.37604600  0.08126000  0.18198600  1
  N  N12  1  0.96864200  0.49401600  0.42761800  1
  N  N13  1  0.03135800  0.50598400  0.92761800  1
  N  N14  1  0.99401600  0.53135800  0.17761800  1
  N  N15  1  0.00598400  0.46864200  0.67761800  1
  N  N16  1  0.50598400  0.03135800  0.07238200  1
  N  N17  1  0.49401600  0.96864200  0.57238200  1
  N  N18  1  0.53135800  0.99401600  0.82238200  1
  N  N19  1  0.46864200  0.00598400  0.32238200  1
  N  N20  1  0.68549500  0.47481800  0.56682800  1
  N  N21  1  0.31450500  0.52518200  0.06682800  1
  N  N22  1  0.97481800  0.81450500  0.31682800  1
  N  N23  1  0.02518200  0.18549500  0.81682800  1
  N  N24  1  0.52518200  0.31450500  0.93317200  1
  N  N25  1  0.47481800  0.68549500  0.43317200  1
  N  N26  1  0.81450500  0.97481800  0.68317200  1
  N  N27  1  0.18549500  0.02518200  0.18317200  1
  N  N28  1  0.84531700  0.23988100  0.59984200  1
  N  N29  1  0.15468300  0.76011900  0.09984200  1
  N  N30  1  0.73988100  0.65468300  0.34984200  1
  N  N31  1  0.26011900  0.34531700  0.84984200  1
  N  N32  1  0.76011900  0.15468300  0.90015800  1
  N  N33  1  0.23988100  0.84531700  0.40015800  1
  N  N34  1  0.65468300  0.73988100  0.65015800  1
  N  N35  1  0.34531700  0.26011900  0.15015800  1
