data_[Na3Tl3Cu6F18]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7319]
_cell_length_b [5.7319]
_cell_length_c [14.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaTlCu2F6]
_chemical_formula_sum '[Na3 Tl3 Cu6 F18]'
_cell_volume [404.7366]
_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  0.4756  1.0
  Tl  Tl1  3  0.0000  0.0000  0.9534  1.0
  Cu  Cu2  3  0.0000  0.0000  0.1998  1.0
  Cu  Cu3  3  0.0000  0.0000  0.7019  1.0
  F  F4  9  0.0028  0.4387  0.4501  1.0
  F  F5  9  0.1497  0.8062  0.2811  1.0
]