data_[Li2Tl1Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2/m]
_cell_length_a [6.0181]
_cell_length_b [7.7218]
_cell_length_c [6.2347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TlRuCl8]
_chemical_formula_sum '[Li2 Tl1 Ru1 Cl8]'
_cell_volume [288.0038]
_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
[
  Li  Li0  2  0.5000  0.2432  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2023  0.2191  0.8420  1.0
  Cl  Cl4  2  0.2708  0.0000  0.3090  1.0
  Cl  Cl5  2  0.2944  0.5000  0.3381  1.0
]