data_[Li4Hf2Tl4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  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 [16.1610]
_cell_length_b [4.3015]
_cell_length_c [8.2594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hf(TlTe2)2]
_chemical_formula_sum '[Li4 Hf2 Tl4 Te8]'
_cell_volume [535.5844]
_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
[
  Li  Li0  4  0.1818  0.5000  0.9806  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1398  0.0000  0.5661  1.0
  Te  Te3  4  0.0107  0.5000  0.7641  1.0
  Te  Te4  4  0.1932  0.0000  0.1903  1.0
]