data_[Tl4W2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5821]
_cell_length_b [8.0422]
_cell_length_c [8.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2WF6]
_chemical_formula_sum '[Tl4 W2 F12]'
_cell_volume [371.2900]
_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  0.1808  0.0550  0.8087  1
  W  W1  2  0.5000  0.0000  0.5000  1
  F  F2  4  0.2026  0.1224  0.4620  1
  F  F3  4  0.3138  0.7094  0.9300  1
  F  F4  4  0.4110  0.0353  0.2259  1
]