data_[Cs6Ru4Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3153]
_cell_length_b [7.3153]
_cell_length_c [17.6539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cs3Ru2Cl9]
_chemical_formula_sum '[Cs6 Ru4 Cl18]'
_cell_volume [818.1617]
_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
[
  Cs  Cs0  4  0.3333  0.6667  0.0735  1
  Cs  Cs1  2  0.0000  0.0000  0.2500  1
  Ru  Ru2  4  0.3333  0.6667  0.6745  1
  Cl  Cl3  12  0.1821  0.3641  0.5967  1
  Cl  Cl4  6  0.0174  0.5087  0.7500  1
]