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 [P2_1/m]
_cell_length_a [7.6287]
_cell_length_b [6.2497]
_cell_length_c [7.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3CO3F]
_chemical_formula_sum '[Tl6 C2 O6 F2]'
_cell_volume [316.0135]
_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  2  0.0845  0.2500  0.2493  1.0
  Tl  Tl1  2  0.2534  0.2500  0.8336  1.0
  Tl  Tl2  2  0.3343  0.7500  0.5831  1.0
  C  C3  2  0.3288  0.7500  0.1669  1.0
  O  O4  2  0.1703  0.7500  0.1899  1.0
  O  O5  2  0.3063  0.7500  0.9862  1.0
  O  O6  2  0.4903  0.2500  0.6752  1.0
  F  F7  2  0.0000  0.0000  0.5000  1.0
]