# generated using pymatgen
data_CrFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65246433
_cell_length_b   9.70999104
_cell_length_c   13.13630084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeN2
_chemical_formula_sum   'Cr16 Fe16 N32'
_cell_volume   593.43747365
_cell_formula_units_Z   16
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  0.24691800  0.01705000  0.46840600  1
  Cr  Cr1  1  0.74691800  0.48295000  0.53159400  1
  Cr  Cr2  1  0.75308200  0.51705000  0.03159400  1
  Cr  Cr3  1  0.25308200  0.98295000  0.96840600  1
  Cr  Cr4  1  0.75308200  0.98295000  0.53159400  1
  Cr  Cr5  1  0.25308200  0.51705000  0.46840600  1
  Cr  Cr6  1  0.24691800  0.48295000  0.96840600  1
  Cr  Cr7  1  0.74691800  0.01705000  0.03159400  1
  Cr  Cr8  1  0.22285600  0.35169200  0.31644900  1
  Cr  Cr9  1  0.72285600  0.14830800  0.68355000  1
  Cr  Cr10  1  0.77714400  0.85169200  0.18355100  1
  Cr  Cr11  1  0.27714400  0.64830800  0.81645000  1
  Cr  Cr12  1  0.77714400  0.64830800  0.68355000  1
  Cr  Cr13  1  0.27714400  0.85169200  0.31644900  1
  Cr  Cr14  1  0.22285600  0.14830800  0.81645000  1
  Cr  Cr15  1  0.72285600  0.35169200  0.18355100  1
  Fe  Fe16  1  0.83572300  0.04982400  0.30409700  1
  Fe  Fe17  1  0.33572300  0.45017600  0.69590300  1
  Fe  Fe18  1  0.16427700  0.54982400  0.19590300  1
  Fe  Fe19  1  0.66427700  0.95017600  0.80409700  1
  Fe  Fe20  1  0.16427700  0.95017600  0.69590300  1
  Fe  Fe21  1  0.66427700  0.54982400  0.30409700  1
  Fe  Fe22  1  0.83572300  0.45017600  0.80409700  1
  Fe  Fe23  1  0.33572300  0.04982400  0.19590300  1
  Fe  Fe24  1  0.78769200  0.25379300  0.42689300  1
  Fe  Fe25  1  0.28769200  0.24620700  0.57310700  1
  Fe  Fe26  1  0.21230800  0.75379300  0.07310700  1
  Fe  Fe27  1  0.71230800  0.74620700  0.92689300  1
  Fe  Fe28  1  0.21230800  0.74620700  0.57310700  1
  Fe  Fe29  1  0.71230800  0.75379300  0.42689300  1
  Fe  Fe30  1  0.78769200  0.24620700  0.92689300  1
  Fe  Fe31  1  0.28769200  0.25379300  0.07310700  1
  N  N32  1  0.05565400  0.35424700  0.49189200  1
  N  N33  1  0.55565400  0.14575300  0.50810800  1
  N  N34  1  0.94434600  0.85424700  0.00810800  1
  N  N35  1  0.44434600  0.64575300  0.99189200  1
  N  N36  1  0.94434600  0.64575300  0.50810800  1
  N  N37  1  0.44434600  0.85424700  0.49189200  1
  N  N38  1  0.05565400  0.14575300  0.99189200  1
  N  N39  1  0.55565400  0.35424700  0.00810800  1
  N  N40  1  0.56314300  0.41188700  0.39962000  1
  N  N41  1  0.06314300  0.08811300  0.60038000  1
  N  N42  1  0.43685700  0.91188700  0.10038000  1
  N  N43  1  0.93685700  0.58811300  0.89962000  1
  N  N44  1  0.43685700  0.58811300  0.60038000  1
  N  N45  1  0.93685700  0.91188700  0.39962000  1
  N  N46  1  0.56314300  0.08811300  0.89962000  1
  N  N47  1  0.06314300  0.41188700  0.10038000  1
  N  N48  1  0.90480100  0.24314500  0.29536000  1
  N  N49  1  0.40480100  0.25685500  0.70464000  1
  N  N50  1  0.09519900  0.74314500  0.20464000  1
  N  N51  1  0.59519900  0.75685500  0.79536000  1
  N  N52  1  0.09519900  0.75685500  0.70464000  1
  N  N53  1  0.59519900  0.74314500  0.29536000  1
  N  N54  1  0.90480100  0.25685500  0.79536000  1
  N  N55  1  0.40480100  0.24314500  0.20464000  1
  N  N56  1  0.56245400  0.52549200  0.16824100  1
  N  N57  1  0.06245400  0.97450800  0.83175900  1
  N  N58  1  0.43754600  0.02549200  0.33175900  1
  N  N59  1  0.93754600  0.47450800  0.66824100  1
  N  N60  1  0.43754600  0.47450800  0.83175900  1
  N  N61  1  0.93754600  0.02549200  0.16824100  1
  N  N62  1  0.56245400  0.97450800  0.66824100  1
  N  N63  1  0.06245400  0.52549200  0.33175900  1
