# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.91836797
_cell_length_b   8.91485124
_cell_length_c   5.49527280
_cell_angle_alpha   90.00000000
_cell_angle_beta   112.29167169
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   540.23935510
_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  0.35025600  0.39325200  0.64935000  1
  Cr  Cr1  1  0.64974400  0.39325200  0.85065000  1
  Cr  Cr2  1  0.64974400  0.60674800  0.35065000  1
  Cr  Cr3  1  0.35025600  0.60674800  0.14935000  1
  Cr  Cr4  1  0.85025600  0.89325200  0.64935000  1
  Cr  Cr5  1  0.14974400  0.89325200  0.85065000  1
  Cr  Cr6  1  0.14974400  0.10674800  0.35065000  1
  Cr  Cr7  1  0.85025600  0.10674800  0.14935000  1
  N  N8  1  0.00000000  0.16345400  0.25000000  1
  N  N9  1  0.00000000  0.83654600  0.75000000  1
  N  N10  1  0.67055000  0.53538300  0.07771300  1
  N  N11  1  0.32945000  0.53538300  0.42228700  1
  N  N12  1  0.32945000  0.46461700  0.92228700  1
  N  N13  1  0.67055000  0.46461700  0.57771300  1
  N  N14  1  0.25000000  0.75000000  0.00000000  1
  N  N15  1  0.75000000  0.75000000  0.50000000  1
  N  N16  1  0.50000000  0.66345400  0.25000000  1
  N  N17  1  0.50000000  0.33654600  0.75000000  1
  N  N18  1  0.17055000  0.03538300  0.07771300  1
  N  N19  1  0.82945000  0.03538300  0.42228700  1
  N  N20  1  0.82945000  0.96461700  0.92228700  1
  N  N21  1  0.17055000  0.96461700  0.57771300  1
  N  N22  1  0.75000000  0.25000000  0.00000000  1
  N  N23  1  0.25000000  0.25000000  0.50000000  1
