data_Y2HfZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   30.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfZr
_chemical_formula_sum   'Y2 Hf1 Zr1'
_cell_volume   109.77
_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  0.49  1.0
  Y  Y2  1  0.6  0.0  0.22  1.0
  Hf  Hf0  1  0.6  0.0  0.8  1.0
  Zr  Zr3  1  0.0  0.0  0.46  1.0

data_Y2HfZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.2
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfZr
_chemical_formula_sum   'Y2 Hf1 Zr1'
_cell_volume   109.77
_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  0.51  0.0  0.51  1.0
  Y  Y1  1  0.78  0.6  0.78  1.0
  Hf  Hf2  1  0.2  0.6  0.2  1.0
  Zr  Zr3  1  0.54  0.0  0.54  1.0

Y Y Hf Zr
Y Y Hf Zr 0 3 o o o 0 1 - o o 0 2 - o o 1 2 o o - 1 3 + o o 2 2 o + - 2 3 + o o 