data_Hf2Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.48
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Zr
_chemical_formula_sum   'Hf4 Zr2'
_cell_volume   136.23
_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
  Hf  Hf0  1  0.59  0.24  0.56  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.59  0.24  0.97  1.0
  Hf  Hf3  1  0.59  0.24  0.77  1.0
  Zr  Zr4  1  0.0  0.0  0.36  1.0
  Zr  Zr5  1  0.0  0.0  0.17  1.0

data_Hf2Zr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.48
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Zr
_chemical_formula_sum   'Hf4 Zr2'
_cell_volume   136.23
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.59  0.24  0.56  1.0
  Hf  Hf2  1  0.59  0.24  0.77  1.0
  Hf  Hf3  1  0.59  0.24  0.97  1.0
  Zr  Zr4  1  0.0  0.0  0.17  1.0
  Zr  Zr5  1  0.0  0.0  0.36  1.0

Hf Hf Hf Hf Zr Zr