data_[Tl8Te2I2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3546]
_cell_length_b [7.3196]
_cell_length_c [9.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl4TeIF]
_chemical_formula_sum '[Tl8 Te2 I2 F2]'
_cell_volume [500.8889]
_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  4  0.0599  0.5134  0.7427  1
  Tl  Tl1  2  0.3772  0.7500  0.1283  1
  Tl  Tl2  2  0.3863  0.7500  0.5657  1
  Te  Te3  2  0.2567  0.2500  0.5555  1
  I  I4  2  0.2770  0.2500  0.0734  1
  F  F5  2  0.1724  0.7500  0.2905  1
]