# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97805984
_cell_length_b   7.97805984
_cell_length_c   7.97805984
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   507.79903161
_cell_formula_units_Z   8
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  0.25000000  0.75000000  0.75000000  1
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr2  1  0.25000000  0.25000000  0.25000000  1
  Cr  Cr3  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr4  1  0.75000000  0.75000000  0.25000000  1
  Cr  Cr5  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr6  1  0.75000000  0.25000000  0.75000000  1
  Cr  Cr7  1  0.50000000  0.50000000  0.00000000  1
  N  N8  1  0.37500000  0.87500000  0.62500000  1
  N  N9  1  0.37500000  0.62500000  0.87500000  1
  N  N10  1  0.12500000  0.87500000  0.87500000  1
  N  N11  1  0.12500000  0.62500000  0.62500000  1
  N  N12  1  0.37500000  0.37500000  0.12500000  1
  N  N13  1  0.37500000  0.12500000  0.37500000  1
  N  N14  1  0.12500000  0.37500000  0.37500000  1
  N  N15  1  0.12500000  0.12500000  0.12500000  1
  N  N16  1  0.87500000  0.87500000  0.12500000  1
  N  N17  1  0.87500000  0.62500000  0.37500000  1
  N  N18  1  0.62500000  0.87500000  0.37500000  1
  N  N19  1  0.62500000  0.62500000  0.12500000  1
  N  N20  1  0.87500000  0.37500000  0.62500000  1
  N  N21  1  0.87500000  0.12500000  0.87500000  1
  N  N22  1  0.62500000  0.37500000  0.87500000  1
  N  N23  1  0.62500000  0.12500000  0.62500000  1
