# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44526925
_cell_length_b   9.52754058
_cell_length_c   5.10404593
_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   'Cr8 N16'
_cell_volume   410.68503822
_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  0.19077900  0.15661500  0.13348000  1
  Cr  Cr1  1  0.19077900  0.84338500  0.86652000  1
  Cr  Cr2  1  0.80922100  0.84338500  0.63348000  1
  Cr  Cr3  1  0.80922100  0.15661500  0.36652000  1
  Cr  Cr4  1  0.69077900  0.65661500  0.13348000  1
  Cr  Cr5  1  0.69077900  0.34338500  0.86652000  1
  Cr  Cr6  1  0.30922000  0.34338500  0.63348000  1
  Cr  Cr7  1  0.30922000  0.65661500  0.36652000  1
  N  N8  1  0.30563200  0.21654700  0.39141600  1
  N  N9  1  0.30563200  0.78345300  0.60858400  1
  N  N10  1  0.69436800  0.78345300  0.89141600  1
  N  N11  1  0.69436800  0.21654700  0.10858400  1
  N  N12  1  0.50000000  0.63738800  0.25000000  1
  N  N13  1  0.50000000  0.36261200  0.75000000  1
  N  N14  1  0.74272700  0.00000000  0.50000000  1
  N  N15  1  0.25727300  0.00000000  0.00000000  1
  N  N16  1  0.80563200  0.71654700  0.39141600  1
  N  N17  1  0.80563200  0.28345300  0.60858400  1
  N  N18  1  0.19436800  0.28345300  0.89141600  1
  N  N19  1  0.19436800  0.71654700  0.10858400  1
  N  N20  1  0.00000000  0.13738800  0.25000000  1
  N  N21  1  0.00000000  0.86261200  0.75000000  1
  N  N22  1  0.24272700  0.50000000  0.50000000  1
  N  N23  1  0.75727300  0.50000000  0.00000000  1
