data_HfTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   9.38
_cell_angle_alpha   90.0
_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   92.53
_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  0.57  0.57  0.78  1.0
  Ti  Ti3  1  0.0  0.0  0.82  1.0
  Sn  Sn1  1  0.0  0.0  0.14  1.0
  Sn  Sn2  1  0.57  0.57  0.71  1.0

data_HfTiSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTiSn2
_chemical_formula_sum   'Hf2 Ti2 Sn4'
_cell_volume   185.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.07  0.5  0.78  1.0
  Ti  Ti1  2  0.0  0.0  0.82  1.0
  Sn  Sn2  2  0.0  0.0  0.14  1.0
  Sn  Sn3  2  0.07  0.5  0.71  1.0

Hf Ti Sn Sn