data_NaHfZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfZn
_chemical_formula_sum   'Na1 Hf1 Zn1'
_cell_volume   60.52
_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
  Na  Na1  1  0.0  0.0  0.34  1.0
  Hf  Hf0  1  0.49  0.44  0.01  1.0
  Zn  Zn2  1  0.0  0.88  0.47  1.0

data_NaHfZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfZn
_chemical_formula_sum   'Na1 Hf1 Zn1'
_cell_volume   60.52
_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
  Na  Na0  1  0.34  0.0  0.0  1.0
  Hf  Hf1  1  0.01  0.49  0.44  1.0
  Zn  Zn2  1  0.47  0.0  0.88  1.0

Na Hf Zn
Na Hf Zn 0 2 o - o 0 1 o o + 0 1 o o o 0 1 - - + 0 1 - - o 1 2 o - - 1 2 o - o 1 2 + o - 1 2 + o o 1 1 o o + 