data_HfTaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.15
_cell_angle_alpha   98.66
_cell_angle_beta   98.66
_cell_angle_gamma   109.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSn2
_chemical_formula_sum   'Hf1 Ta1 Sn2'
_cell_volume   84.65
_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
  Ta  Ta3  1  0.15  0.0  0.0  1.0
  Sn  Sn1  1  0.16  0.21  0.52  1.0
  Sn  Sn2  1  0.16  0.79  0.52  1.0

data_HfTaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   109.11
_cell_angle_beta   98.66
_cell_angle_gamma   98.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSn2
_chemical_formula_sum   'Hf1 Ta1 Sn2'
_cell_volume   84.65
_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
  Ta  Ta1  1  0.0  0.15  0.0  1.0
  Sn  Sn2  1  0.52  0.16  0.21  1.0
  Sn  Sn3  1  0.52  0.16  0.79  1.0

Hf Ta Sn Sn