data_Hf4Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   95.22
_cell_angle_beta   95.22
_cell_angle_gamma   144.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Zr
_chemical_formula_sum   'Hf4 Zr1'
_cell_volume   111.65
_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  0.76  0.59  0.0  1.0
  Hf  Hf1  1  0.59  0.18  0.0  1.0
  Hf  Hf2  1  0.38  0.79  0.77  1.0
  Hf  Hf3  1  0.21  0.38  0.77  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0

data_Hf4Zr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   84.78
_cell_angle_beta   72.45
_cell_angle_gamma   72.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Zr
_chemical_formula_sum   'Hf4 Zr1'
_cell_volume   111.65
_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  0.18  0.41  0.0  1.0
  Hf  Hf1  1  0.38  0.83  0.23  1.0
  Hf  Hf2  1  0.59  0.17  0.0  1.0
  Hf  Hf3  1  0.79  0.59  0.23  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Zr