data_HoFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   3.44
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoFe
_chemical_formula_sum   'Ho2 Fe2'
_cell_volume   78.04
_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
  Ho  Ho2  1  0.45  0.72  0.33  1.0
  Ho  Ho3  1  0.15  0.72  0.61  1.0
  Fe  Fe0  1  0.15  0.0  0.86  1.0
  Fe  Fe1  1  0.45  0.0  0.07  1.0

data_HoFe
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.6
_cell_length_b   3.44
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HoFe
_chemical_formula_sum   'Ho2 Fe2'
_cell_volume   78.04
_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
  Ho  Ho0  2  0.15  0.72  0.86  1.0
  Fe  Fe1  2  0.15  0.0  0.6  1.0

Ho Ho Fe Fe
Ho Ho Fe Fe 0 3 o + o 1 2 o + o 2 3 o o + 