# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18586500
_cell_length_b   8.87026065
_cell_length_c   5.85014325
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.23881055
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   366.95290045
_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  0.50410900  0.54025800  0.00259900  1
  Cr  Cr1  1  0.50410900  0.45974200  0.50259900  1
  Cr  Cr2  1  0.45821500  0.91460600  0.08448800  1
  Cr  Cr3  1  0.45821500  0.08539400  0.58448800  1
  Cr  Cr4  1  0.00410900  0.04025800  0.00259900  1
  Cr  Cr5  1  0.00410900  0.95974200  0.50259900  1
  Cr  Cr6  1  0.95821500  0.41460600  0.08448800  1
  Cr  Cr7  1  0.95821500  0.58539400  0.58448800  1
  N  N8  1  0.21601500  0.06245000  0.53391900  1
  N  N9  1  0.21601500  0.93755000  0.03391900  1
  N  N10  1  0.88062500  0.01754900  0.71883200  1
  N  N11  1  0.88062500  0.98245100  0.21883200  1
  N  N12  1  0.51542900  0.96507200  0.37422700  1
  N  N13  1  0.51542900  0.03492800  0.87422700  1
  N  N14  1  0.53046800  0.73165800  0.03640500  1
  N  N15  1  0.53046800  0.26834200  0.53640500  1
  N  N16  1  0.71601500  0.56245000  0.53391900  1
  N  N17  1  0.71601500  0.43755000  0.03391900  1
  N  N18  1  0.38062500  0.51754900  0.71883200  1
  N  N19  1  0.38062500  0.48245100  0.21883200  1
  N  N20  1  0.01542900  0.46507200  0.37422700  1
  N  N21  1  0.01542900  0.53492800  0.87422700  1
  N  N22  1  0.03046800  0.23165800  0.03640500  1
  N  N23  1  0.03046800  0.76834200  0.53640500  1
