data_HfTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.37
_cell_angle_alpha   114.98
_cell_angle_beta   114.98
_cell_angle_gamma   31.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl
_chemical_formula_sum   'Hf2 Tl2'
_cell_volume   92.46
_cell_formula_units_Z   2
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  0.9  0.0  0.66  1.0
  Hf  Hf1  1  0.49  0.0  0.16  1.0
  Tl  Tl2  1  0.31  0.0  0.29  1.0
  Tl  Tl3  1  0.08  0.0  0.53  1.0

data_HfTl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.26
_cell_length_b   5.37
_cell_length_c   6.09
_cell_angle_alpha   114.98
_cell_angle_beta   105.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfTl
_chemical_formula_sum   'Hf2 Tl2'
_cell_volume   92.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.25  0.7  1.0
  Tl  Tl1  2  0.0  0.12  0.89  1.0

Hf Hf Tl Tl