data_HfTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   88.49
_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   190.28
_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  0.0  0.38  0.27  1.0
  Hf  Hf1  1  0.0  0.62  0.27  1.0
  Hf  Hf2  1  0.6  0.0  0.14  1.0
  Hf  Hf3  1  0.0  0.0  0.64  1.0
  Tl  Tl4  1  0.6  0.64  0.48  1.0
  Tl  Tl5  1  0.6  0.36  0.48  1.0
  Tl  Tl6  1  0.6  0.0  0.67  1.0
  Tl  Tl7  1  0.0  0.0  0.89  1.0

data_HfTl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfTl
_chemical_formula_sum   'Hf4 Tl4'
_cell_volume   190.35
_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  0.0  0.38  0.27  1.0
  Hf  Hf1  1  0.0  0.0  0.64  1.0
  Hf  Hf2  1  0.6  0.0  0.14  1.0
  Tl  Tl3  2  0.6  0.36  0.48  1.0
  Tl  Tl4  1  0.0  0.0  0.89  1.0
  Tl  Tl5  1  0.6  0.0  0.67  1.0

Hf Hf Hf Hf Tl Tl Tl Tl