data_[Tl2F13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3981]
_cell_length_b [7.7555]
_cell_length_c [7.9655]
_cell_angle_alpha [118.6113]
_cell_angle_beta [90.1575]
_cell_angle_gamma [92.1981]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2F13]
_chemical_formula_sum '[Tl2 F13]'
_cell_volume [238.2770]
_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  0.0186  0.3126  0.2379  1.0
  F  F1  2  0.0007  0.3606  0.9848  1.0
  F  F2  2  0.0753  0.3517  0.5229  1.0
  F  F3  2  0.3304  0.6453  0.3074  1.0
  F  F4  2  0.3543  0.0257  0.4803  1.0
  F  F5  2  0.4235  0.3588  0.8168  1.0
  F  F6  2  0.4816  0.7345  0.7734  1.0
  F  F7  1  0.0000  0.0000  0.0000  1.0
]