data_[Cr2Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.8681]
_cell_length_b [2.8689]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrFe]
_chemical_formula_sum '[Cr2 Fe2]'
_cell_volume [46.1185]
_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  2  0.2739  0.7500  0.8777  1.0
  Fe  Fe1  2  0.2465  0.7500  0.3752  1.0
]