data_Cr2Fe3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.41
_cell_angle_alpha   90.76
_cell_angle_beta   90.76
_cell_angle_gamma   80.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe3N4
_chemical_formula_sum   'Cr4 Fe6 N8'
_cell_volume   168.24
_cell_formula_units_Z   2
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  0.7  0.07  0.52  1.0
  Cr  Cr1  1  0.71  0.07  0.6  1.0
  Cr  Cr2  1  0.75  0.93  0.89  1.0
  Cr  Cr3  1  0.75  0.93  0.81  1.0
  Fe  Fe4  1  0.02  0.28  0.01  1.0
  Fe  Fe5  1  0.48  0.28  0.7  1.0
  Fe  Fe6  1  0.43  0.72  0.4  1.0
  Fe  Fe7  1  0.97  0.72  0.72  1.0
  Fe  Fe8  1  0.2  0.15  0.06  1.0
  Fe  Fe9  1  0.25  0.85  0.35  1.0
  N  N10  1  0.13  0.4  0.89  1.0
  N  N11  1  0.27  0.4  0.23  1.0
  N  N12  1  0.32  0.6  0.52  1.0
  N  N13  1  0.18  0.6  0.18  1.0
  N  N14  1  0.89  0.26  0.38  1.0
  N  N15  1  0.51  0.26  0.74  1.0
  N  N16  1  0.56  0.74  0.04  1.0
  N  N17  1  0.94  0.74  0.67  1.0

data_Cr2Fe3N4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.41
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   80.78
_cell_angle_beta   89.24
_cell_angle_gamma   89.24
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2Fe3N4
_chemical_formula_sum   'Cr4 Fe6 N8'
_cell_volume   168.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.03  0.93  1.0
  Cr  Cr1  2  0.39  0.02  0.93  1.0
  Fe  Fe2  2  0.15  0.48  0.15  1.0
  Fe  Fe3  2  0.2  0.29  0.28  1.0
  Fe  Fe4  2  0.49  0.25  0.72  1.0
  N  N5  2  0.02  0.45  0.6  1.0
  N  N6  2  0.17  0.83  0.74  1.0
  N  N7  2  0.32  0.41  0.4  1.0
  N  N8  2  0.46  0.78  0.26  1.0

Cr Cr Cr Cr Fe Fe Fe Fe Fe Fe N N N N N N N N