# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93747103
_cell_length_b   9.17675740
_cell_length_c   5.59410798
_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   561.48351689
_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  0.99918500  0.85444600  0.90108700  1
  Cr  Cr1  1  0.99918500  0.14555400  0.09891300  1
  Cr  Cr2  1  0.49918500  0.35444600  0.09891300  1
  Cr  Cr3  1  0.49918500  0.64555400  0.90108700  1
  Cr  Cr4  1  0.49918500  0.35444600  0.40108700  1
  Cr  Cr5  1  0.49918500  0.64555400  0.59891300  1
  Cr  Cr6  1  0.99918500  0.85444600  0.59891300  1
  Cr  Cr7  1  0.99918500  0.14555400  0.40108700  1
  N  N8  1  0.76655900  0.73408600  0.92525500  1
  N  N9  1  0.76655900  0.26591400  0.07474500  1
  N  N10  1  0.26655900  0.23408600  0.07474500  1
  N  N11  1  0.26655900  0.76591400  0.92525500  1
  N  N12  1  0.48867600  0.40884800  0.25000000  1
  N  N13  1  0.48867600  0.59115200  0.75000000  1
  N  N14  1  0.97441600  0.00000000  0.00000000  1
  N  N15  1  0.47441600  0.50000000  0.00000000  1
  N  N16  1  0.26655900  0.23408600  0.42525500  1
  N  N17  1  0.26655900  0.76591400  0.57474500  1
  N  N18  1  0.76655900  0.73408600  0.57474500  1
  N  N19  1  0.76655900  0.26591400  0.42525500  1
  N  N20  1  0.98867600  0.90884800  0.75000000  1
  N  N21  1  0.98867600  0.09115200  0.25000000  1
  N  N22  1  0.47441600  0.50000000  0.50000000  1
  N  N23  1  0.97441600  0.00000000  0.50000000  1
