data_Hf2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.32
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   26.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Tl
_chemical_formula_sum   'Hf4 Tl2'
_cell_volume   136.28
_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  0.63  0.0  0.13  1.0
  Hf  Hf1  1  0.36  0.0  0.09  1.0
  Hf  Hf2  1  0.67  0.0  0.05  1.0
  Hf  Hf3  1  0.0  0.0  0.0  1.0
  Tl  Tl4  1  0.38  0.0  0.08  1.0
  Tl  Tl5  1  0.92  0.0  0.11  1.0

data_Hf2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.32
_cell_length_c   6.99
_cell_angle_alpha   101.44
_cell_angle_beta   103.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Tl
_chemical_formula_sum   'Hf4 Tl2'
_cell_volume   136.28
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.05  0.67  1.0
  Hf  Hf2  1  0.0  0.09  0.36  1.0
  Hf  Hf3  1  0.0  0.13  0.63  1.0
  Tl  Tl4  1  0.0  0.08  0.38  1.0
  Tl  Tl5  1  0.0  0.11  0.92  1.0

Hf Hf Hf Hf Tl Tl
Hf Hf Hf Hf Tl Tl 0 2 o o o 1 4 o o o 3 5 - o o 