data_[Hf4Al2Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1753]
_cell_length_b [12.4781]
_cell_length_c [8.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Al(TlTe3)2]
_chemical_formula_sum '[Hf4 Al2 Tl4 Te12]'
_cell_volume [738.4129]
_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  4  0.0000  0.3279  0.5000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1672  0.0000  1.0
  Te  Te3  8  0.2364  0.1622  0.7005  1.0
  Te  Te4  4  0.2375  0.5000  0.6905  1.0
]