data_CrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   4.02
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   98.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe
_chemical_formula_sum   'Cr2 Fe2'
_cell_volume   45.69
_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  0.86  0.01  0.09  1.0
  Cr  Cr1  1  0.84  0.0  0.6  1.0
  Fe  Fe2  1  0.67  0.0  0.92  1.0
  Fe  Fe3  1  0.03  0.01  0.77  1.0

data_CrFe
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   2.42
_cell_length_b   4.02
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   98.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   CrFe
_chemical_formula_sum   'Cr2 Fe2'
_cell_volume   45.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.49  0.0  0.25  1.0
  Fe  Fe1  2  0.32  0.0  0.58  1.0

Cr Cr Fe Fe