data_Hf2TiZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.82
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiZn
_chemical_formula_sum   'Hf2 Ti1 Zn1'
_cell_volume   75.47
_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  0.0  0.0  0.35  1.0
  Hf  Hf1  1  0.54  0.91  0.69  1.0
  Ti  Ti2  1  0.0  0.0  0.31  1.0
  Zn  Zn3  1  0.54  0.91  0.74  1.0

data_Hf2TiZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.82
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiZn
_chemical_formula_sum   'Hf2 Ti1 Zn1'
_cell_volume   75.47
_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  0.0  0.0  0.35  1.0
  Hf  Hf1  1  0.54  0.91  0.69  1.0
  Ti  Ti2  1  0.0  0.0  0.31  1.0
  Zn  Zn3  1  0.54  0.91  0.74  1.0

Hf Hf Ti Zn
Hf Hf Ti Zn 0 2 o o o 1 3 o o o 