# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31954654
_cell_length_b   5.40646111
_cell_length_c   5.84217155
_cell_angle_alpha   87.50076916
_cell_angle_beta   88.31913759
_cell_angle_gamma   61.09538474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr3 N6'
_cell_volume   146.94289763
_cell_formula_units_Z   3
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  0.29909400  0.27885700  0.34332200  1
  Cr  Cr1  1  0.25494300  0.77270100  0.67745200  1
  Cr  Cr2  1  0.80355400  0.30175300  0.01531900  1
  N  N3  1  0.05629300  0.37797800  0.11490800  1
  N  N4  1  0.63581200  0.22749400  0.23656700  1
  N  N5  1  0.17147600  0.54090000  0.53575300  1
  N  N6  1  0.54748900  0.57651000  0.84866200  1
  N  N7  1  0.98266400  0.00003500  0.83869600  1
  N  N8  1  0.33267300  0.97877300  0.47331900  1
