# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26824569
_cell_length_b   5.96491793
_cell_length_c   5.58040571
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.20775646
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   166.58188091
_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  0.01550500  0.50000000  0.00277500  1
  Cr  Cr1  1  0.53817800  0.50000000  0.52893100  1
  Cr  Cr2  1  0.94586400  0.00000000  0.22698100  1
  Cr  Cr3  1  0.52386700  0.00000000  0.53807700  1
  N  N4  1  0.28946000  0.00000000  0.25732900  1
  N  N5  1  0.45801200  0.73863800  0.66172700  1
  N  N6  1  0.45801200  0.26136200  0.66172700  1
  N  N7  1  0.91034000  0.50000000  0.68326200  1
  N  N8  1  0.87116600  0.25586000  0.07976200  1
  N  N9  1  0.87116600  0.74414000  0.07976200  1
  N  N10  1  0.83320300  0.00000000  0.49016100  1
  N  N11  1  0.35732900  0.50000000  0.20652800  1
