# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42364147
_cell_length_b   5.42364147
_cell_length_c   5.88352640
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr3 N6'
_cell_volume   149.88227751
_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  0.52396800  0.52396800  0.00000000  1
  Cr  Cr1  1  0.47603200  0.00000000  0.66666700  1
  Cr  Cr2  1  0.00000000  0.47603200  0.33333300  1
  N  N3  1  0.57374300  0.82584000  0.87064800  1
  N  N4  1  0.17416000  0.74790300  0.53731400  1
  N  N5  1  0.25209700  0.42625700  0.20398100  1
  N  N6  1  0.82584000  0.57374300  0.12935200  1
  N  N7  1  0.74790300  0.17416000  0.46268600  1
  N  N8  1  0.42625700  0.25209700  0.79601900  1
