data_[Na6Tl14]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.8830]
_cell_length_b [10.8830]
_cell_length_c [5.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na3Tl7]
_chemical_formula_sum '[Na6 Tl14]'
_cell_volume [615.3978]
_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  6  0.2059  0.4118  0.1271  1.0
  Tl  Tl1  6  0.0548  0.5274  0.7890  1.0
  Tl  Tl2  6  0.1166  0.2332  0.6155  1.0
  Tl  Tl3  2  0.3333  0.6667  0.4970  1.0
]