data_HfTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2
_chemical_formula_sum   'Hf2 Tl4'
_cell_volume   151.03
_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  0.67  0.9  0.0  1.0
  Hf  Hf1  1  0.67  0.1  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.67  0.48  0.71  1.0
  Tl  Tl4  1  0.67  0.0  0.71  1.0
  Tl  Tl5  1  0.67  0.52  0.71  1.0

data_HfTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.42
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2
_chemical_formula_sum   'Hf2 Tl4'
_cell_volume   151.03
_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  0.1  -0.0  0.43  1.0
  Hf  Hf1  1  0.9  0.0  0.23  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.29  0.33  1.0
  Tl  Tl4  1  0.48  0.29  0.81  1.0
  Tl  Tl5  1  0.52  0.29  0.85  1.0

Hf Hf Tl Tl Tl Tl