# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68768140
_cell_length_b   5.16175809
_cell_length_c   9.45830675
_cell_angle_alpha   90.00000000
_cell_angle_beta   115.36790580
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   427.36140396
_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  0.31296300  0.37031700  0.68740100  1
  Cr  Cr1  1  0.18703700  0.87031700  0.81259900  1
  Cr  Cr2  1  0.68703700  0.62968300  0.31259900  1
  Cr  Cr3  1  0.81296300  0.12968300  0.18740100  1
  Cr  Cr4  1  0.81296300  0.87031700  0.68740100  1
  Cr  Cr5  1  0.68703700  0.37031700  0.81259900  1
  Cr  Cr6  1  0.18703700  0.12968300  0.31259900  1
  Cr  Cr7  1  0.31296300  0.62968300  0.18740100  1
  N  N8  1  0.25000000  0.75000000  -0.00000000  1
  N  N9  1  0.75000000  0.75000000  0.50000000  1
  N  N10  1  0.69712500  0.87518100  0.19601800  1
  N  N11  1  0.80287500  0.37518100  0.30398200  1
  N  N12  1  0.30287500  0.12481900  0.80398200  1
  N  N13  1  0.19712500  0.62481900  0.69601800  1
  N  N14  1  0.00000000  0.97276500  0.75000000  1
  N  N15  1  0.00000000  0.02723500  0.25000000  1
  N  N16  1  0.75000000  0.25000000  -0.00000000  1
  N  N17  1  0.25000000  0.25000000  0.50000000  1
  N  N18  1  0.19712500  0.37518100  0.19601800  1
  N  N19  1  0.30287500  0.87518100  0.30398200  1
  N  N20  1  0.80287500  0.62481900  0.80398200  1
  N  N21  1  0.69712500  0.12481900  0.69601800  1
  N  N22  1  0.50000000  0.47276500  0.75000000  1
  N  N23  1  0.50000000  0.52723500  0.25000000  1
