data_HfZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   15.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr
_chemical_formula_sum   'Hf3 Zr3'
_cell_volume   136.63
_cell_formula_units_Z   3
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  0.92  0.23  1.0
  Hf  Hf1  1  0.0  0.0  0.81  1.0
  Hf  Hf2  1  0.0  0.84  0.38  1.0
  Zr  Zr3  1  0.59  0.92  0.98  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.0  0.84  0.63  1.0

data_HfZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   15.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr
_chemical_formula_sum   'Hf3 Zr3'
_cell_volume   136.63
_cell_formula_units_Z   3
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  0.84  0.38  1.0
  Hf  Hf1  1  0.0  0.0  0.81  1.0
  Hf  Hf2  1  0.59  0.92  0.23  1.0
  Zr  Zr3  1  -0.0  0.84  0.63  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.59  0.92  0.98  1.0

Hf Hf Hf Zr Zr Zr