data_HfTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiSn2
_chemical_formula_sum   'Hf1 Ti1 Sn2'
_cell_volume   84.12
_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  0.15  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.58  0.89  0.58  1.0
  Sn  Sn2  1  0.58  0.11  0.58  1.0

data_HfTiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   106.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiSn2
_chemical_formula_sum   'Hf1 Ti1 Sn2'
_cell_volume   84.12
_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  0.0  0.15  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.58  0.58  0.11  1.0
  Sn  Sn3  1  0.58  0.58  0.89  1.0

Hf Ti Sn Sn