data_[Tl2W4Cl2]
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 [Cm]
_cell_length_a [11.2248]
_cell_length_b [3.0439]
_cell_length_c [5.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlW2Cl]
_chemical_formula_sum '[Tl2 W4 Cl2]'
_cell_volume [170.4004]
_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  2  0.2235  0.5000  0.2616  1
  W  W1  2  0.2784  0.0000  0.8019  1
  W  W2  2  0.4607  0.5000  0.8594  1
  Cl  Cl3  2  0.0374  0.5000  0.5771  1
]