data_[Tl1H8Ru2]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.7694]
_cell_length_b [4.7694]
_cell_length_c [5.8448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl(H4Ru)2]
_chemical_formula_sum '[Tl1 H8 Ru2]'
_cell_volume [115.1404]
_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  0.0793  1
  H  H1  3  0.0000  0.3220  0.6707  1
  H  H2  3  0.0000  0.6432  0.3913  1
  Ru  Ru3  2  0.3333  0.6667  0.5489  1
  H  H4  2  0.3333  0.6667  0.8195  1
]