data_Hf2AlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlSn
_chemical_formula_sum   'Hf2 Al1 Sn1'
_cell_volume   81.8
_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  Hf1  1  0.54  0.15  0.55  1.0
  Hf  Hf2  1  0.54  0.85  0.55  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.07  0.0  0.0  1.0

data_Hf2AlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   108.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlSn
_chemical_formula_sum   'Hf2 Al1 Sn1'
_cell_volume   81.8
_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  0.55  0.54  0.15  1.0
  Hf  Hf1  1  0.55  0.54  0.85  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.07  0.0  1.0

Hf Hf Al Sn
Hf Hf Al Sn 0 1 o - o 2 3 o o o 