data_Y2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   145.27
_cell_angle_beta   145.27
_cell_angle_gamma   49.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Hf
_chemical_formula_sum   'Y2 Hf1'
_cell_volume   86.8
_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  Y1  1  0.0  0.0  0.07  1.0
  Y  Y2  1  0.0  0.0  0.63  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0

data_Y2Hf
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   114.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Hf
_chemical_formula_sum   'Y4 Hf2'
_cell_volume   173.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.37  1.0
  Y  Y1  2  0.0  0.0  0.93  1.0
  Hf  Hf2  2  0.0  0.0  0.0  1.0

Y Y Hf
Y Y Hf 0 2 o o o 0 1 o o - 1 2 o o + 