data_[Na4Tl6In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9719]
_cell_length_b [10.7187]
_cell_length_c [15.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na2(TlIn3)3]
_chemical_formula_sum '[Na4 Tl6 In18]'
_cell_volume [822.7398]
_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  4  0.0000  0.1995  0.5000  1
  Tl  Tl1  4  0.0000  0.0000  0.3092  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  8  0.0000  0.2844  0.1353  1
  In  In4  8  0.0000  0.3635  0.3265  1
  In  In5  2  0.0000  0.5000  0.0000  1
]