# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45003400
_cell_length_b   5.46915176
_cell_length_c   5.99335026
_cell_angle_alpha   88.35821870
_cell_angle_beta   89.13454833
_cell_angle_gamma   60.17783241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr3 N6'
_cell_volume   154.92317784
_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  0.28802000  0.28763300  0.33895300  1.0
  Cr  Cr1  1  0.27434200  0.77763000  0.67217600  1.0
  Cr  Cr2  1  0.79817100  0.28849600  0.00660600  1.0
  N  N3  1  0.02327200  0.37243600  0.15544200  1.0
  N  N4  1  0.58497200  0.22463700  0.19978400  1.0
  N  N5  1  0.19447200  0.56580100  0.52306100  1.0
  N  N6  1  0.58037700  0.55815700  0.83802300  1.0
  N  N7  1  0.99997300  0.99707200  0.85288100  1.0
  N  N8  1  0.34040200  0.98313800  0.49707500  1.0