data_HfSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   8.9
_cell_length_c   8.9
_cell_angle_alpha   21.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn5
_chemical_formula_sum   'Hf1 Sn5'
_cell_volume   152.81
_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  0.61  0.0  0.47  1.0
  Sn  Sn1  1  0.61  0.0  0.5  1.0
  Sn  Sn2  1  0.61  0.0  0.09  1.0
  Sn  Sn3  1  0.0  0.0  0.53  1.0
  Sn  Sn4  1  0.0  0.0  0.99  1.0
  Sn  Sn5  1  0.0  0.0  0.56  1.0

data_HfSn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.23
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn5
_chemical_formula_sum   'Hf1 Sn5'
_cell_volume   152.81
_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  0.53  0.61  0.53  1.0
  Sn  Sn1  1  0.01  0.0  0.01  1.0
  Sn  Sn2  1  0.44  0.0  0.44  1.0
  Sn  Sn3  1  0.47  0.0  0.47  1.0
  Sn  Sn4  1  0.5  0.61  0.5  1.0
  Sn  Sn5  1  0.91  0.61  0.91  1.0

Hf Sn Sn Sn Sn Sn