data_Hf3Zr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   158.25
_cell_angle_beta   149.11
_cell_angle_gamma   38.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zr2
_chemical_formula_sum   'Hf3 Zr2'
_cell_volume   113.82
_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
  Hf  Hf0  1  0.0  0.0  0.53  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.41  1.0
  Zr  Zr3  1  0.0  0.0  0.77  1.0
  Zr  Zr4  1  0.0  0.0  0.16  1.0

data_Hf3Zr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.49
_cell_length_c   8.43
_cell_angle_alpha   105.45
_cell_angle_beta   100.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zr2
_chemical_formula_sum   'Hf3 Zr2'
_cell_volume   113.82
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.47  0.47  0.47  1.0
  Hf  Hf2  1  0.59  0.59  0.59  1.0
  Zr  Zr3  1  0.23  0.23  0.23  1.0
  Zr  Zr4  1  0.84  0.84  0.84  1.0

Hf Hf Hf Zr Zr