data_[Na16Li2Tl4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0623]
_cell_length_b [15.7161]
_cell_length_c [6.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8LiTl2]
_chemical_formula_sum '[Na16 Li2 Tl4]'
_cell_volume [712.8612]
_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
[
  Na  Na0  8  0.2197  0.8783  0.1491  1.0
  Na  Na1  4  0.0000  0.2089  0.5000  1.0
  Na  Na2  4  0.1063  0.5000  0.3040  1.0
  Li  Li3  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl4  4  0.0000  0.3101  0.0000  1.0
]