data_HfTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlCl2
_chemical_formula_sum   'Hf1 Tl1 Cl2'
_cell_volume   91.91
_cell_formula_units_Z   1
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  Hf2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.17  0.0  0.0  1.0
  Cl  Cl0  1  0.59  0.75  0.61  1.0
  Cl  Cl1  1  0.59  0.25  0.61  1.0

data_HfTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   109.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlCl2
_chemical_formula_sum   'Hf1 Tl1 Cl2'
_cell_volume   91.91
_cell_formula_units_Z   1
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
  Tl  Tl1  1  0.0  0.17  0.0  1.0
  Cl  Cl2  1  0.61  0.59  0.25  1.0
  Cl  Cl3  1  0.61  0.59  0.75  1.0

Hf Tl Cl Cl
Hf Tl Cl Cl 0 1 o o o 0 2 - - o 0 2 - - - 0 3 o o - 0 3 - o - 1 2 o - - 1 2 - - - 1 3 o o o 1 3 o o - 2 3 o + o 2 3 o o o 2 2 o o + 3 3 o o + 