# generated using pymatgen
data_CrFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10356383
_cell_length_b   8.67560755
_cell_length_c   9.92142101
_cell_angle_alpha   90.00000000
_cell_angle_beta   98.29635392
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2N3
_chemical_formula_sum   'Cr8 Fe16 N24'
_cell_volume   434.68882564
_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  0.70279900  0.94876900  0.34751200  1
  Cr  Cr1  1  0.29720100  0.94876900  0.15248800  1
  Cr  Cr2  1  0.29720100  0.05123100  0.65248800  1
  Cr  Cr3  1  0.70279900  0.05123100  0.84751200  1
  Cr  Cr4  1  0.20279900  0.44876900  0.34751200  1
  Cr  Cr5  1  0.79720100  0.44876900  0.15248800  1
  Cr  Cr6  1  0.79720100  0.55123100  0.65248800  1
  Cr  Cr7  1  0.20279900  0.55123100  0.84751200  1
  Fe  Fe8  1  0.75153100  0.14686000  0.18654700  1
  Fe  Fe9  1  0.24846900  0.14686000  0.31345300  1
  Fe  Fe10  1  0.24846900  0.85314000  0.81345300  1
  Fe  Fe11  1  0.75153100  0.85314000  0.68654800  1
  Fe  Fe12  1  0.16786400  0.87481900  0.44541000  1
  Fe  Fe13  1  0.83213600  0.87481900  0.05459000  1
  Fe  Fe14  1  0.83213600  0.12518100  0.55459000  1
  Fe  Fe15  1  0.16786400  0.12518100  0.94541000  1
  Fe  Fe16  1  0.25153100  0.64686000  0.18654700  1
  Fe  Fe17  1  0.74846900  0.64686000  0.31345300  1
  Fe  Fe18  1  0.74846900  0.35314000  0.81345300  1
  Fe  Fe19  1  0.25153100  0.35314000  0.68654800  1
  Fe  Fe20  1  0.66786400  0.37481900  0.44541000  1
  Fe  Fe21  1  0.33213600  0.37481900  0.05459000  1
  Fe  Fe22  1  0.33213600  0.62518100  0.55459000  1
  Fe  Fe23  1  0.66786400  0.62518100  0.94541000  1
  N  N24  1  0.50000000  0.79745100  0.25000000  1
  N  N25  1  0.50000000  0.20254900  0.75000000  1
  N  N26  1  0.61720600  0.16287800  0.37713600  1
  N  N27  1  0.38279400  0.16287800  0.12286400  1
  N  N28  1  0.38279400  0.83712200  0.62286400  1
  N  N29  1  0.61720600  0.83712200  0.87713600  1
  N  N30  1  0.83280700  0.10269600  0.01774200  1
  N  N31  1  0.16719300  0.10269600  0.48225800  1
  N  N32  1  0.16719300  0.89730400  0.98225800  1
  N  N33  1  0.83280700  0.89730400  0.51774200  1
  N  N34  1  0.50000000  0.47184900  0.25000000  1
  N  N35  1  0.50000000  0.52815100  0.75000000  1
  N  N36  1  0.00000000  0.29745100  0.25000000  1
  N  N37  1  0.00000000  0.70254900  0.75000000  1
  N  N38  1  0.11720600  0.66287800  0.37713600  1
  N  N39  1  0.88279400  0.66287800  0.12286400  1
  N  N40  1  0.88279400  0.33712200  0.62286400  1
  N  N41  1  0.11720600  0.33712200  0.87713600  1
  N  N42  1  0.33280700  0.60269600  0.01774200  1
  N  N43  1  0.66719300  0.60269600  0.48225800  1
  N  N44  1  0.66719300  0.39730400  0.98225800  1
  N  N45  1  0.33280700  0.39730400  0.51774200  1
  N  N46  1  0.00000000  0.97184900  0.25000000  1
  N  N47  1  0.00000000  0.02815100  0.75000000  1
