data_Hf7Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.41
_cell_angle_alpha   105.47
_cell_angle_beta   105.47
_cell_angle_gamma   55.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Zr
_chemical_formula_sum   'Hf7 Zr1'
_cell_volume   180.41
_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  0.94  0.62  0.3  1.0
  Hf  Hf1  1  0.77  0.62  0.82  1.0
  Hf  Hf2  1  0.29  0.38  0.35  1.0
  Hf  Hf3  1  0.42  0.38  0.77  1.0
  Hf  Hf4  1  0.84  0.69  0.53  1.0
  Hf  Hf5  1  0.36  0.46  0.06  1.0
  Hf  Hf6  1  0.88  0.69  0.58  1.0
  Zr  Zr7  1  0.32  0.46  0.0  1.0

data_Hf7Zr
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   6.0
_cell_length_c   6.41
_cell_angle_alpha   105.47
_cell_angle_beta   90.0
_cell_angle_gamma   117.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Zr
_chemical_formula_sum   'Hf7 Zr1'
_cell_volume   180.41
_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  0.31  0.44  0.42  1.0
  Hf  Hf1  1  0.31  0.48  0.47  1.0
  Hf  Hf2  1  0.38  0.44  0.7  1.0
  Hf  Hf3  1  0.38  0.61  0.18  1.0
  Hf  Hf4  1  0.54  0.18  0.94  1.0
  Hf  Hf5  1  0.62  0.2  0.23  1.0
  Hf  Hf6  1  0.62  0.32  0.65  1.0
  Zr  Zr7  1  0.54  0.22  -0.0  1.0

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