data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   103.93
_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  Y4  1  0.0  0.73  0.01  1.0
  Y  Y5  1  0.37  0.37  0.34  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.68  1.0
  Fe  Fe2  1  0.0  0.73  0.34  1.0
  Fe  Fe3  1  0.37  0.37  0.01  1.0

data_YFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   103.93
_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  0.73  0.01  1.0
  Y  Y1  1  0.37  0.37  0.34  1.0
  Fe  Fe2  1  -0.0  0.73  0.34  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Fe  Fe4  1  0.0  0.0  0.68  1.0
  Fe  Fe5  1  0.37  0.37  0.01  1.0

Y Y Fe Fe Fe Fe
Y Y Fe Fe Fe Fe 0 2 o + o 0 4 o o o 1 5 o o o 2 3 o o - 2 5 o o o 