data_[Cs1Tl2Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.1875]
_cell_length_b [9.3921]
_cell_length_c [7.2567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTl2RuCl8]
_chemical_formula_sum '[Cs1 Tl2 Ru1 Cl8]'
_cell_volume [383.3331]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.0000  0.2527  0.5000  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2447  0.1756  0.2181  1
  Cl  Cl4  2  0.2234  0.0000  0.8087  1
  Cl  Cl5  2  0.2998  0.5000  0.6789  1
]