data_Hf5Zr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Zr3
_chemical_formula_sum   'Hf5 Zr3'
_cell_volume   181.69
_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  0.48  0.0  0.0  1.0
  Hf  Hf1  1  0.24  0.25  0.0  1.0
  Hf  Hf2  1  0.24  0.75  0.0  1.0
  Hf  Hf3  1  0.26  0.0  0.25  1.0
  Hf  Hf4  1  0.71  0.0  0.25  1.0
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Zr  Zr6  1  0.48  0.23  0.25  1.0
  Zr  Zr7  1  0.48  0.77  0.25  1.0

data_Hf5Zr3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.5
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf5Zr3
_chemical_formula_sum   'Hf5 Zr3'
_cell_volume   181.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  -0.0  0.25  0.24  1.0
  Hf  Hf1  1  0.0  0.0  0.48  1.0
  Hf  Hf2  1  0.25  0.0  0.26  1.0
  Hf  Hf3  1  0.25  0.0  0.71  1.0
  Zr  Zr4  2  0.25  0.23  0.48  1.0
  Zr  Zr5  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf Zr Zr Zr