# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28694129
_cell_length_b   5.73269103
_cell_length_c   6.57574689
_cell_angle_alpha   90.54232270
_cell_angle_beta   92.04580819
_cell_angle_gamma   91.24783817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   199.11564218
_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  0.20039100  0.24285000  0.11312000  1
  Cr  Cr1  1  0.86779600  0.48811500  0.83900000  1
  Cr  Cr2  1  0.48458100  0.73453200  0.11243100  1
  Cr  Cr3  1  0.34777700  0.49471600  0.50846900  1
  N  N4  1  0.34578200  0.99120200  0.03590400  1
  N  N5  1  0.62414700  0.43455700  0.67858900  1
  N  N6  1  0.32334700  0.49378700  0.00885500  1
  N  N7  1  0.22153600  0.25034100  0.37895100  1
  N  N8  1  0.47377000  0.72923400  0.38026900  1
  N  N9  1  0.77592800  0.71757000  0.00575700  1
  N  N10  1  0.89781800  0.24414500  0.00289200  1
  N  N11  1  0.11844600  0.56965900  0.66718200  1
