data_[Tl3O2F1]
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 [P-6m2]
_cell_length_a [4.2630]
_cell_length_b [4.2630]
_cell_length_c [20.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tl3O2F]
_chemical_formula_sum '[Tl3 O2 F1]'
_cell_volume [330.0787]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1424  1
  Tl  Tl1  1  0.6667  0.3333  0.0000  1
  O  O2  2  0.6667  0.3333  0.0962  1
  F  F3  1  0.0000  0.0000  0.0000  1
]