data_HfZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn
_chemical_formula_sum   'Hf2 Zn2'
_cell_volume   78.92
_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  0.14  0.23  0.75  1.0
  Hf  Hf1  1  0.0  0.47  0.25  1.0
  Zn  Zn2  1  0.0  0.0  0.5  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_HfZn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.27
_cell_length_b   5.0
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfZn
_chemical_formula_sum   'Hf2 Zn2'
_cell_volume   78.92
_cell_formula_units_Z   2
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  1  -0.0  0.5  0.47  1.0
  Hf  Hf1  1  0.14  0.0  0.23  1.0
  Zn  Zn2  2  0.0  0.25  0.0  1.0

Hf Hf Zn Zn
Hf Hf Zn Zn 0 2 o o o 0 3 o o + 0 1 o o + 0 1 o o o 1 3 o + o 1 3 o o o 1 2 o + o 1 2 o o o 