data_[Tl6W2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.8125]
_cell_length_b [7.0456]
_cell_length_c [7.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl3WCl3]
_chemical_formula_sum '[Tl6 W2 Cl6]'
_cell_volume [1081.8599]
_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  0.1158  0.4765  0.0404  1
  Tl  Tl1  2  0.0000  0.3081  0.2982  1
  W  W2  2  0.0000  0.0384  0.0199  1
  Cl  Cl3  4  0.1215  0.0404  0.0130  1
  Cl  Cl4  2  0.0000  0.2072  0.7439  1
]