data_[Na4Li4Tl8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.1430]
_cell_length_b [14.9612]
_cell_length_c [7.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [NaLi(TlTe)2]
_chemical_formula_sum '[Na4 Li4 Tl8 Te8]'
_cell_volume [754.3555]
_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
[
  Na  Na0  4  0.0000  0.0000  0.2500  1.0
  Li  Li1  4  0.0000  0.5000  0.2500  1.0
  Tl  Tl2  8  0.2456  0.3317  0.5000  1.0
  Te  Te3  8  0.2235  0.3889  0.0000  1.0
]