data_[Na2Tl2Ir2F12]
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
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.8780]
_cell_length_b [5.8780]
_cell_length_c [11.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [NaTlIrF6]
_chemical_formula_sum '[Na2 Tl2 Ir2 F12]'
_cell_volume [336.4602]
_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  2  0.3333  0.6667  0.2500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  2  0.3333  0.6667  0.7500  1
  F  F3  12  0.0487  0.3941  0.6520  1
]