data_YFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.85
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   35.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe
_chemical_formula_sum   'Y2 Fe2'
_cell_volume   83.25
_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
  Y  Y2  1  0.85  0.0  0.35  1.0
  Y  Y3  1  0.62  0.0  0.37  1.0
  Fe  Fe0  1  0.82  0.0  0.76  1.0
  Fe  Fe1  1  0.66  0.0  0.97  1.0

data_YFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.34
_cell_length_b   4.85
_cell_length_c   5.54
_cell_angle_alpha   102.35
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YFe
_chemical_formula_sum   'Y2 Fe2'
_cell_volume   83.25
_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
  Y  Y0  2  0.0  0.01  0.38  1.0
  Fe  Fe1  2  0.0  0.4  0.58  1.0

Y Y Fe Fe