data_Y2HfFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   147.44
_cell_angle_beta   132.57
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfFe
_chemical_formula_sum   'Y2 Hf1 Fe1'
_cell_volume   90.21
_cell_formula_units_Z   1
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  0.72  0.0  0.12  1.0
  Y  Y3  1  0.0  0.46  0.21  1.0
  Hf  Hf1  1  0.0  0.0  0.34  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Y2HfFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.92
_cell_length_c   6.12
_cell_angle_alpha   113.71
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfFe
_chemical_formula_sum   'Y2 Hf1 Fe1'
_cell_volume   90.21
_cell_formula_units_Z   1
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  0.12  0.41  1.0
  Y  Y1  1  0.54  0.75  0.75  1.0
  Hf  Hf2  1  0.0  0.34  0.34  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Y Y Hf Fe