data_[Na3Li6Tl3F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4641]
_cell_length_b [5.4641]
_cell_length_c [14.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2TlF6]
_chemical_formula_sum '[Na3 Li6 Tl3 F18]'
_cell_volume [378.9138]
_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  0.8052  1.0
  Li  Li1  3  0.0000  0.0000  0.0242  1.0
  Li  Li2  3  0.0000  0.0000  0.5203  1.0
  Tl  Tl3  3  0.0000  0.0000  0.3112  1.0
  F  F4  9  0.0365  0.3397  0.5845  1.0
  F  F5  9  0.0622  0.7170  0.0823  1.0
]