data_Hf2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Sn
_chemical_formula_sum   'Hf8 Sn4'
_cell_volume   280.09
_cell_formula_units_Z   4
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  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.8  1.0
  Hf  Hf2  1  0.9  0.35  0.4  1.0
  Hf  Hf3  1  0.0  0.67  0.2  1.0
  Hf  Hf4  1  0.45  0.84  0.4  1.0
  Hf  Hf5  1  0.35  0.84  0.4  1.0
  Hf  Hf6  1  0.55  0.19  0.2  1.0
  Hf  Hf7  1  0.45  0.19  0.2  1.0
  Sn  Sn8  1  0.0  0.35  0.57  1.0
  Sn  Sn9  1  0.9  0.67  0.37  1.0
  Sn  Sn10  1  0.9  0.67  0.03  1.0
  Sn  Sn11  1  0.0  0.35  0.23  1.0

data_Hf2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Sn
_chemical_formula_sum   'Hf8 Sn4'
_cell_volume   280.09
_cell_formula_units_Z   4
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  0.67  0.2  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.8  1.0
  Hf  Hf3  1  0.35  0.84  0.4  1.0
  Hf  Hf4  1  0.45  0.84  0.4  1.0
  Hf  Hf5  1  0.45  0.19  0.2  1.0
  Hf  Hf6  1  0.55  0.19  0.2  1.0
  Hf  Hf7  1  0.9  0.35  0.4  1.0
  Sn  Sn8  1  -0.0  0.35  0.23  1.0
  Sn  Sn9  1  -0.0  0.35  0.57  1.0
  Sn  Sn10  1  0.9  0.67  0.03  1.0
  Sn  Sn11  1  0.9  0.67  0.37  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Sn Sn Sn Sn