data_HfSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn3
_chemical_formula_sum   'Hf2 Sn6'
_cell_volume   195.17
_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  0.33  0.38  0.16  1.0
  Hf  Hf1  1  0.33  0.62  0.39  1.0
  Sn  Sn2  1  0.33  0.63  0.16  1.0
  Sn  Sn3  1  0.33  0.37  0.39  1.0
  Sn  Sn4  1  0.93  0.03  0.16  1.0
  Sn  Sn5  1  0.73  0.97  0.39  1.0
  Sn  Sn6  1  0.93  0.97  0.39  1.0
  Sn  Sn7  1  0.73  0.03  0.16  1.0

data_HfSn3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.55
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   115.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfSn3
_chemical_formula_sum   'Hf2 Sn6'
_cell_volume   195.17
_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  0.11  0.0  0.62  1.0
  Sn  Sn1  2  0.11  0.0  0.37  1.0
  Sn  Sn2  2  0.11  0.4  0.97  1.0
  Sn  Sn3  2  0.11  0.6  0.97  1.0

Hf Hf Sn Sn Sn Sn Sn Sn