data_Hf4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   98.65
_cell_angle_beta   98.65
_cell_angle_gamma   134.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Sn
_chemical_formula_sum   'Hf4 Sn1'
_cell_volume   110.66
_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  0.38  0.39  0.0  1.0
  Hf  Hf1  1  0.79  0.22  0.14  1.0
  Hf  Hf2  1  0.22  0.21  0.14  1.0
  Hf  Hf3  1  0.81  0.38  0.0  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

data_Hf4Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   81.35
_cell_angle_beta   67.19
_cell_angle_gamma   67.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Sn
_chemical_formula_sum   'Hf4 Sn1'
_cell_volume   110.66
_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  0.07  0.14  0.01  1.0
  Hf  Hf1  1  0.08  0.14  0.57  1.0
  Hf  Hf2  1  0.38  -0.0  0.43  1.0
  Hf  Hf3  1  0.39  -0.0  0.99  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Sn