# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13698376
_cell_length_b   8.13698376
_cell_length_c   9.31234589
_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   616.57512142
_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  0.82330800  0.37960900  0.99727300  1
  Cr  Cr1  1  0.17669200  0.62039100  0.49727300  1
  Cr  Cr2  1  0.87960900  0.67669200  0.24727300  1
  Cr  Cr3  1  0.12039100  0.32330800  0.74727300  1
  Cr  Cr4  1  0.62039100  0.17669200  0.50272700  1
  Cr  Cr5  1  0.37960900  0.82330800  0.00272700  1
  Cr  Cr6  1  0.67669200  0.87960900  0.75272700  1
  Cr  Cr7  1  0.32330800  0.12039100  0.25272700  1
  Cr  Cr8  1  0.91091000  0.08909000  0.25000000  1
  Cr  Cr9  1  0.08909000  0.91091000  0.75000000  1
  Cr  Cr10  1  0.58909000  0.58909000  0.50000000  1
  Cr  Cr11  1  0.41091000  0.41091000  0.00000000  1
  N  N12  1  0.94796900  0.36946700  0.84357300  1
  N  N13  1  0.05203100  0.63053300  0.34357300  1
  N  N14  1  0.86946700  0.55203100  0.09357300  1
  N  N15  1  0.13053300  0.44796900  0.59357300  1
  N  N16  1  0.63053300  0.05203100  0.65642700  1
  N  N17  1  0.36946700  0.94796900  0.15642700  1
  N  N18  1  0.55203100  0.86946700  0.90642700  1
  N  N19  1  0.44796900  0.13053300  0.40642700  1
  N  N20  1  0.61503500  0.38499600  0.95654100  1
  N  N21  1  0.38496500  0.61500400  0.45654100  1
  N  N22  1  0.88499600  0.88496500  0.20654100  1
  N  N23  1  0.11500400  0.11503500  0.70654100  1
  N  N24  1  0.61500400  0.38496500  0.54345900  1
  N  N25  1  0.38499600  0.61503500  0.04345900  1
  N  N26  1  0.88496500  0.88499600  0.79345900  1
  N  N27  1  0.11503500  0.11500400  0.29345900  1
  N  N28  1  0.86121300  0.21171400  0.10424100  1
  N  N29  1  0.13878700  0.78828600  0.60424100  1
  N  N30  1  0.71171400  0.63878700  0.35424100  1
  N  N31  1  0.28828600  0.36121300  0.85424100  1
  N  N32  1  0.78828600  0.13878700  0.39575900  1
  N  N33  1  0.21171400  0.86121300  0.89575900  1
  N  N34  1  0.63878700  0.71171400  0.64575900  1
  N  N35  1  0.36121300  0.28828600  0.14575900  1
