data_HfSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.24
_cell_length_b   12.24
_cell_length_c   12.24
_cell_angle_alpha   165.11
_cell_angle_beta   160.65
_cell_angle_gamma   24.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2
_chemical_formula_sum   'Hf2 Sn4'
_cell_volume   156.22
_cell_formula_units_Z   2
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  0.59  0.03  0.87  1.0
  Hf  Hf1  1  0.0  0.03  0.1  1.0
  Sn  Sn2  1  0.0  0.09  0.56  1.0
  Sn  Sn3  1  0.59  0.97  0.4  1.0
  Sn  Sn4  1  0.0  0.09  0.24  1.0
  Sn  Sn5  1  0.59  0.97  0.73  1.0

data_HfSn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   4.12
_cell_length_c   12.24
_cell_angle_alpha   99.68
_cell_angle_beta   97.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfSn2
_chemical_formula_sum   'Hf2 Sn4'
_cell_volume   156.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.39  0.09  1.0
  Sn  Sn1  2  0.44  0.02  0.31  1.0
  Sn  Sn2  2  0.44  0.7  0.99  1.0

Hf Hf Sn Sn Sn Sn