data_[Tl2Ru2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6083]
_cell_length_b [3.3559]
_cell_length_c [6.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlRuCl2]
_chemical_formula_sum '[Tl2 Ru2 Cl4]'
_cell_volume [208.7148]
_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  0.1804  0.0000  0.6240  1
  Ru  Ru1  2  0.4470  0.0000  0.6252  1
  Cl  Cl2  2  0.0164  0.0000  0.9197  1
  Cl  Cl3  2  0.3562  0.5000  0.3311  1
]