# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99244259
_cell_length_b   5.06494891
_cell_length_c   6.85465626
_cell_angle_alpha   78.99632385
_cell_angle_beta   89.61720457
_cell_angle_gamma   70.15890499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   159.72604487
_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  0.21436600  0.11932000  0.91504800  1
  Cr  Cr1  1  0.31160400  0.99719000  0.47456800  1
  Cr  Cr2  1  0.50406900  0.66240500  0.80380800  1
  Cr  Cr3  1  0.78286400  0.41635100  0.18768200  1
  N  N4  1  0.25191500  0.24689900  0.66964000  1
  N  N5  1  0.42914700  0.77330200  0.56097700  1
  N  N6  1  0.98883400  0.73180800  0.31695600  1
  N  N7  1  0.83582600  0.86524600  0.81626900  1
  N  N8  1  0.04549100  0.24833100  0.09806700  1
  N  N9  1  0.58061100  0.43621000  0.98244000  1
  N  N10  1  0.34575700  0.86011700  0.96687700  1
  N  N11  1  0.57423600  0.20262200  0.34159800  1
