data_Y2HfRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfRe
_chemical_formula_sum   'Y2 Hf1 Re1'
_cell_volume   93.58
_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  0.73  0.0  0.35  1.0
  Y  Y3  1  0.73  0.0  0.92  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.14  1.0

data_Y2HfRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfRe
_chemical_formula_sum   'Y2 Hf1 Re1'
_cell_volume   93.58
_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  0.73  0.0  0.35  1.0
  Y  Y1  1  0.73  0.0  0.92  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.14  1.0

Y Y Hf Re
Y Y Hf Re 0 3 + o o 1 2 + o + 2 3 o o o 