data_HfTl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   95.46
_cell_angle_beta   95.46
_cell_angle_gamma   144.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl8
_chemical_formula_sum   'Hf1 Tl8'
_cell_volume   256.5
_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  0.65  0.35  0.38  1.0
  Tl  Tl2  1  0.35  0.65  0.38  1.0
  Tl  Tl3  1  0.0  0.98  0.0  1.0
  Tl  Tl4  1  0.54  0.54  0.0  1.0
  Tl  Tl5  1  0.98  0.0  0.0  1.0
  Tl  Tl6  1  0.65  0.65  0.38  1.0
  Tl  Tl7  1  0.0  0.4  0.0  1.0
  Tl  Tl8  1  0.4  0.0  0.0  1.0

data_HfTl8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   14.68
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTl8
_chemical_formula_sum   'Hf2 Tl16'
_cell_volume   513.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Tl  Tl1  4  -0.0  0.35  0.62  1.0
  Tl  Tl2  4  0.01  0.01  -0.0  1.0
  Tl  Tl3  4  0.3  0.3  -0.0  1.0
  Tl  Tl4  2  0.35  0.0  0.62  1.0
  Tl  Tl5  2  0.46  0.0  0.0  1.0

Hf Tl Tl Tl Tl Tl Tl Tl Tl