[CIF]
data_HfZr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07560426
_cell_length_b   5.58860485
_cell_length_c   6.06206657
_cell_angle_alpha   90.00000000
_cell_angle_beta   115.73856118
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr3
_chemical_formula_sum   'Hf2 Zr6'
_cell_volume   185.41066305
_cell_formula_units_Z   2
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  1.06339268  3.25260689  4.09546377  1
  Hf  Hf1  1  2.37966565  2.33599796  1.36515459  1
  Zr  Zr2  1  -0.65813648  3.25328792  1.36515459  1
  Zr  Zr3  1  0.21444589  0.47055787  2.73535266  1
  Zr  Zr4  1  1.91233947  0.47055787  5.45557488  1
  Zr  Zr5  1  -1.97440945  2.33531693  4.09546377  1
  Zr  Zr6  1  3.22861244  5.11804698  2.72526570  1
  Zr  Zr7  1  1.53071886  5.11804698  0.00504348  1
[/CIF]
