# generated using pymatgen
data_CrCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22509400
_cell_length_b   3.22514011
_cell_length_c   9.55850400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99954757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCN2
_chemical_formula_sum   'Cr2 C2 N4'
_cell_volume   86.10205199
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.50000000  1.0
  C  C2  1  0.66661800  0.33323800  0.25000000  1.0
  C  C3  1  0.33338200  0.66676200  0.75000000  1.0
  N  N4  1  0.66664200  0.33328300  0.12001500  1.0
  N  N5  1  0.33335800  0.66671700  0.87998500  1.0
  N  N6  1  0.33335800  0.66671700  0.62001500  1.0
  N  N7  1  0.66664200  0.33328300  0.37998500  1.0