# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85696064
_cell_length_b   7.85696064
_cell_length_c   7.85696064
_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   485.02456246
_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  0.23022800  0.73022800  0.76977200  1
  Cr  Cr1  1  0.73022800  0.76977200  0.23022800  1
  Cr  Cr2  1  0.76977200  0.23022800  0.73022800  1
  Cr  Cr3  1  0.26977200  0.26977200  0.26977200  1
  Cr  Cr4  1  0.48352900  0.98352900  0.51647100  1
  Cr  Cr5  1  0.98352900  0.51647100  0.48352900  1
  Cr  Cr6  1  0.51647100  0.48352900  0.98352900  1
  Cr  Cr7  1  0.01647100  0.01647100  0.01647100  1
  N  N8  1  0.35517100  0.85517100  0.64482900  1
  N  N9  1  0.85517100  0.64482900  0.35517100  1
  N  N10  1  0.64482900  0.35517100  0.85517100  1
  N  N11  1  0.14482900  0.14482900  0.14482900  1
  N  N12  1  0.42299400  0.36276000  0.14048700  1
  N  N13  1  0.85951300  0.92299400  0.13724000  1
  N  N14  1  0.86276000  0.35951300  0.57700600  1
  N  N15  1  0.92299400  0.13724000  0.85951300  1
  N  N16  1  0.35951300  0.57700600  0.86276000  1
  N  N17  1  0.36276000  0.14048700  0.42299400  1
  N  N18  1  0.57700600  0.86276000  0.35951300  1
  N  N19  1  0.14048700  0.42299400  0.36276000  1
  N  N20  1  0.13724000  0.85951300  0.92299400  1
  N  N21  1  0.07700600  0.63724000  0.64048700  1
  N  N22  1  0.64048700  0.07700600  0.63724000  1
  N  N23  1  0.63724000  0.64048700  0.07700600  1
