data_[Tl2O2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [5.4658]
_cell_length_b [3.7689]
_cell_length_c [6.1649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlOF2]
_chemical_formula_sum '[Tl2 O2 F4]'
_cell_volume [122.4371]
_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  0.3657  0.2500  0.2297  1
  O  O1  2  0.0275  0.7500  0.9007  1
  F  F2  2  0.3052  0.7500  0.4767  1
  F  F3  2  0.4288  0.2500  0.8448  1
]