# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96950100
_cell_length_b   5.60339100
_cell_length_c   5.62269398
_cell_angle_alpha   60.69436495
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   246.42835067
_cell_formula_units_Z   4
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  0.81103000  0.62513300  0.64383100  1.0
  Cr  Cr1  1  0.31103000  0.37486700  0.35616900  1.0
  Cr  Cr2  1  0.18908100  0.70937900  0.68995800  1.0
  Cr  Cr3  1  0.68908100  0.29062100  0.31004200  1.0
  N  N4  1  0.49559500  0.33501600  0.33469400  1.0
  N  N5  1  0.99559500  0.66498400  0.66530600  1.0
  N  N6  1  0.23860700  0.55305700  0.02825000  1.0
  N  N7  1  0.73860700  0.44694300  0.97175000  1.0
  N  N8  1  0.73080100  0.94501700  0.46884700  1.0
  N  N9  1  0.23080100  0.05498300  0.53115300  1.0
  N  N10  1  0.27618700  0.55889500  0.53052100  1.0
  N  N11  1  0.77618700  0.44110500  0.46947900  1.0