[CIF]
data_HfZr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22307103
_cell_length_b   5.14689749
_cell_length_c   11.17679828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr3
_chemical_formula_sum   'Hf2 Zr6'
_cell_volume   185.40985231
_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  0.00000000  2.57344874  11.15975534  1
  Hf  Hf1  1  1.61153551  2.57344874  8.40240970  1
  Zr  Zr2  1  0.00000000  2.57344874  5.60604809  1
  Zr  Zr3  1  1.61153551  2.57344874  2.77475585  1
  Zr  Zr4  1  1.61153551  0.00000000  10.25161321  1
  Zr  Zr5  1  0.00000000  0.00000000  7.45996038  1
  Zr  Zr6  1  1.61153551  0.00000000  4.65078726  1
  Zr  Zr7  1  0.00000000  0.00000000  1.85306219  1
[/CIF]
