data_HfSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   144.76
_cell_angle_beta   138.03
_cell_angle_gamma   55.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2
_chemical_formula_sum   'Hf1 Sn2'
_cell_volume   69.1
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.39  1.0
  Sn  Sn2  1  0.0  0.0  0.59  1.0

data_HfSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.05
_cell_length_c   5.65
_cell_angle_alpha   110.99
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2
_chemical_formula_sum   'Hf1 Sn2'
_cell_volume   69.1
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.41  0.41  0.41  1.0
  Sn  Sn2  1  0.61  0.61  0.61  1.0

Hf Sn Sn