data_Y2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Fe
_chemical_formula_sum   'Y4 Fe2'
_cell_volume   136.95
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.36  1.0
  Y  Y4  1  0.0  0.8  0.04  1.0
  Y  Y5  1  0.43  0.4  0.68  1.0
  Fe  Fe0  1  0.0  0.8  0.68  1.0
  Fe  Fe1  1  0.43  0.4  0.04  1.0

data_Y2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Fe
_chemical_formula_sum   'Y4 Fe2'
_cell_volume   136.95
_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  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.36  1.0
  Y  Y2  1  0.0  0.8  0.04  1.0
  Y  Y3  1  0.43  0.4  0.68  1.0
  Fe  Fe4  1  0.0  0.8  0.68  1.0
  Fe  Fe5  1  0.43  0.4  0.04  1.0

Y Y Y Y Fe Fe