data_HfTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   3.2
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl
_chemical_formula_sum   'Hf4 Tl4'
_cell_volume   198.97
_cell_formula_units_Z   4
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  0.09  0.0  0.51  1.0
  Hf  Hf1  1  0.09  0.6  0.67  1.0
  Hf  Hf2  1  0.36  0.6  0.71  1.0
  Hf  Hf3  1  0.36  0.0  0.87  1.0
  Tl  Tl4  1  0.09  0.0  0.51  1.0
  Tl  Tl5  1  0.09  0.6  0.65  1.0
  Tl  Tl6  1  0.36  0.6  0.73  1.0
  Tl  Tl7  1  0.36  0.0  0.87  1.0

data_HfTl
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.46
_cell_length_b   3.2
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HfTl
_chemical_formula_sum   'Hf4 Tl4'
_cell_volume   198.97
_cell_formula_units_Z   4
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  0.14  0.0  0.68  1.0
  Hf  Hf1  2  0.14  0.6  0.52  1.0
  Tl  Tl2  2  0.14  0.0  0.68  1.0
  Tl  Tl3  2  0.14  0.6  0.54  1.0

Hf Hf Hf Hf Tl Tl Tl Tl 0 4 o o o 1 5 o o o 2 6 o o o 3 7 o o o 