# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33166130
_cell_length_b   5.38164174
_cell_length_c   10.84246933
_cell_angle_alpha   90.00000000
_cell_angle_beta   124.49570303
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   448.76404211
_cell_formula_units_Z   8
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  0.37096200  0.77053800  0.67368800  1
  Cr  Cr1  1  0.62903800  0.27053800  0.82631200  1
  Cr  Cr2  1  0.62903800  0.22946200  0.32631200  1
  Cr  Cr3  1  0.37096200  0.72946200  0.17368800  1
  Cr  Cr4  1  0.12007700  0.59454400  0.79704000  1
  Cr  Cr5  1  0.87992300  0.09454400  0.70296000  1
  Cr  Cr6  1  0.87992300  0.40545600  0.20296000  1
  Cr  Cr7  1  0.12007700  0.90545600  0.29704000  1
  N  N8  1  0.22126300  0.66827600  0.70691700  1
  N  N9  1  0.77873700  0.16827600  0.79308300  1
  N  N10  1  0.77873700  0.33172400  0.29308300  1
  N  N11  1  0.22126300  0.83172400  0.20691700  1
  N  N12  1  0.26089900  0.84839300  0.48540600  1
  N  N13  1  0.73910100  0.34839300  0.01459400  1
  N  N14  1  0.73910100  0.15160700  0.51459400  1
  N  N15  1  0.26089900  0.65160700  0.98540600  1
  N  N16  1  0.51831900  0.53308100  0.72003900  1
  N  N17  1  0.48168100  0.03308100  0.77996100  1
  N  N18  1  0.48168100  0.46691900  0.27996100  1
  N  N19  1  0.51831900  0.96691900  0.22003900  1
  N  N20  1  0.94066300  0.78109300  0.72891500  1
  N  N21  1  0.05933700  0.28109300  0.77108500  1
  N  N22  1  0.05933700  0.21890700  0.27108500  1
  N  N23  1  0.94066300  0.71890700  0.22891500  1
