data_HfTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   7.81
_cell_angle_alpha   107.01
_cell_angle_beta   107.01
_cell_angle_gamma   31.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2
_chemical_formula_sum   'Hf2 Tl4'
_cell_volume   148.43
_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  0.53  0.0  0.36  1.0
  Hf  Hf1  1  0.39  0.0  1.0  1.0
  Tl  Tl2  1  0.23  0.0  0.53  1.0
  Tl  Tl3  1  0.41  0.0  0.98  1.0
  Tl  Tl4  1  0.12  0.0  0.64  1.0
  Tl  Tl5  1  0.08  0.0  0.04  1.0

data_HfTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   6.21
_cell_length_c   7.81
_cell_angle_alpha   107.01
_cell_angle_beta   90.0
_cell_angle_gamma   105.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2
_chemical_formula_sum   'Hf2 Tl4'
_cell_volume   148.43
_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  0.47  0.64  1.0
  Hf  Hf1  1  0.0  0.61  0.0  1.0
  Tl  Tl2  1  0.0  0.59  0.02  1.0
  Tl  Tl3  1  0.0  0.77  0.47  1.0
  Tl  Tl4  1  0.0  0.88  0.36  1.0
  Tl  Tl5  1  0.0  0.92  0.96  1.0

Hf Hf Tl Tl Tl Tl