data_[Tl6C2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.6748]
_cell_length_b [7.6748]
_cell_length_c [6.2701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tl3CO3F]
_chemical_formula_sum '[Tl6 C2 O6 F2]'
_cell_volume [319.8440]
_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
[
  Tl  Tl0  6  0.0771  0.3312  0.7500  1.0
  C  C1  2  0.3333  0.6667  0.2500  1.0
  O  O2  6  0.1739  0.4877  0.2500  1.0
  F  F3  2  0.0000  0.0000  0.0000  1.0
]