data_[Na6Tl3Ni3F18]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7606]
_cell_length_b [5.7606]
_cell_length_c [15.1562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TlNiF6]
_chemical_formula_sum '[Na6 Tl3 Ni3 F18]'
_cell_volume [435.5642]
_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  0.4782  1.0
  Na  Na1  3  0.0000  0.0000  0.9690  1.0
  Tl  Tl2  3  0.0000  0.0000  0.6891  1.0
  Ni  Ni3  3  0.0000  0.0000  0.1794  1.0
  F  F4  9  0.0136  0.6323  0.9143  1.0
  F  F5  9  0.0603  0.3904  0.7603  1.0
]