data_Hf5Zr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Zr3
_chemical_formula_sum   'Hf5 Zr3'
_cell_volume   182.27
_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  0.81  0.0  0.01  1.0
  Hf  Hf1  1  0.61  0.0  0.01  1.0
  Hf  Hf2  1  0.21  0.0  0.78  1.0
  Hf  Hf3  1  0.21  0.54  0.92  1.0
  Hf  Hf4  1  0.21  0.46  0.92  1.0
  Zr  Zr5  1  0.0  0.0  0.78  1.0
  Zr  Zr6  1  0.61  0.55  0.71  1.0
  Zr  Zr7  1  0.61  0.45  0.71  1.0

data_Hf5Zr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   115.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Zr3
_chemical_formula_sum   'Hf5 Zr3'
_cell_volume   182.27
_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  0.01  0.61  0.0  1.0
  Hf  Hf1  1  0.01  0.81  0.0  1.0
  Hf  Hf2  1  0.78  0.21  0.0  1.0
  Hf  Hf3  1  0.92  0.21  0.54  1.0
  Hf  Hf4  1  0.92  0.21  0.46  1.0
  Zr  Zr5  1  0.71  0.61  0.45  1.0
  Zr  Zr6  1  0.71  0.61  0.55  1.0
  Zr  Zr7  1  0.78  0.0  0.0  1.0

Hf Hf Hf Hf Hf Zr Zr Zr
Hf Hf Hf Hf Hf Zr Zr Zr 0 1 o o o 2 5 o o o 3 4 o o o 6 7 o o o 