data_[Tl1H2Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6050]
_cell_length_b [6.9006]
_cell_length_c [7.5381]
_cell_angle_alpha [87.8663]
_cell_angle_beta [87.7645]
_cell_angle_gamma [87.4724]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2RuCl8]
_chemical_formula_sum '[Tl1 H2 Ru1 Cl8]'
_cell_volume [342.7618]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.2502  0.2938  0.7172  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1848  0.8308  0.7774  1.0
  Cl  Cl4  2  0.2090  0.8603  0.2222  1.0
  Cl  Cl5  2  0.2183  0.2598  0.9626  1.0
  Cl  Cl6  2  0.2702  0.3132  0.5336  1.0
]