data_[Na6Tl3As3Cl18]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1240]
_cell_length_b [7.1240]
_cell_length_c [19.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TlAsCl6]
_chemical_formula_sum '[Na6 Tl3 As3 Cl18]'
_cell_volume [855.5714]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0026  1.0
  Na  Na1  3  0.0000  0.0000  0.5248  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8106  1.0
  As  As3  3  0.0000  0.0000  0.3287  1.0
  Cl  Cl4  9  0.0315  0.3581  0.9235  1.0
  Cl  Cl5  9  0.0786  0.7038  0.0744  1.0
]