data_Hf2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   104.28
_cell_angle_beta   104.28
_cell_angle_gamma   120.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Tl
_chemical_formula_sum   'Hf4 Tl2'
_cell_volume   137.36
_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  0.03  0.52  0.0  1.0
  Hf  Hf1  1  0.46  0.97  0.82  1.0
  Hf  Hf2  1  0.03  0.46  0.82  1.0
  Hf  Hf3  1  0.46  0.03  0.0  1.0
  Tl  Tl4  1  0.0  0.0  0.41  1.0
  Tl  Tl5  1  0.0  0.0  0.23  1.0

data_Hf2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   75.72
_cell_angle_beta   60.23
_cell_angle_gamma   60.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Tl
_chemical_formula_sum   'Hf4 Tl2'
_cell_volume   137.36
_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  0.03  0.0  0.43  1.0
  Hf  Hf1  1  0.15  0.82  0.49  1.0
  Hf  Hf2  1  0.52  -0.0  0.51  1.0
  Hf  Hf3  1  0.64  0.82  0.57  1.0
  Tl  Tl4  1  0.59  0.41  0.0  1.0
  Tl  Tl5  1  0.77  0.23  0.0  1.0

Hf Hf Hf Hf Tl Tl