data_Hf3Zr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zr5
_chemical_formula_sum   'Hf6 Zr10'
_cell_volume   373.42
_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  0.26  0.01  0.32  1.0
  Hf  Hf1  1  0.41  0.49  0.44  1.0
  Hf  Hf2  1  0.48  0.0  0.32  1.0
  Hf  Hf3  1  0.74  0.01  0.44  1.0
  Hf  Hf4  1  0.18  0.0  0.44  1.0
  Hf  Hf5  1  0.59  0.49  0.32  1.0
  Zr  Zr6  1  0.02  0.7  0.44  1.0
  Zr  Zr7  1  0.65  0.79  0.32  1.0
  Zr  Zr8  1  0.97  0.0  0.44  1.0
  Zr  Zr9  1  0.98  0.7  0.32  1.0
  Zr  Zr10  1  0.0  1.0  0.0  1.0
  Zr  Zr11  1  0.0  1.0  0.88  1.0
  Zr  Zr12  1  0.33  0.5  0.0  1.0
  Zr  Zr13  1  0.33  0.5  0.88  1.0
  Zr  Zr14  1  0.69  0.0  0.32  1.0
  Zr  Zr15  1  0.35  0.79  0.44  1.0

data_Hf3Zr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zr5
_chemical_formula_sum   'Hf6 Zr10'
_cell_volume   373.42
_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  0.32  0.26  0.01  1.0
  Hf  Hf1  1  0.32  0.48  0.0  1.0
  Hf  Hf2  1  0.32  0.59  0.49  1.0
  Hf  Hf3  1  0.44  0.18  0.0  1.0
  Hf  Hf4  1  0.44  0.41  0.49  1.0
  Hf  Hf5  1  0.44  0.74  0.01  1.0
  Zr  Zr6  1  -0.0  0.33  0.5  1.0
  Zr  Zr7  1  -0.0  0.0  1.0  1.0
  Zr  Zr8  1  0.32  0.65  0.79  1.0
  Zr  Zr9  1  0.32  0.69  0.0  1.0
  Zr  Zr10  1  0.32  0.98  0.7  1.0
  Zr  Zr11  1  0.44  0.02  0.7  1.0
  Zr  Zr12  1  0.44  0.35  0.79  1.0
  Zr  Zr13  1  0.44  0.97  0.0  1.0
  Zr  Zr14  1  0.88  0.0  1.0  1.0
  Zr  Zr15  1  0.88  0.33  0.5  1.0

Hf Hf Hf Hf Hf Hf Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr