data_[Ba4Ru4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0251]
_cell_length_b [6.9768]
_cell_length_c [9.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaRuCl5]
_chemical_formula_sum '[Ba4 Ru4 Cl20]'
_cell_volume [852.5476]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.4831  0.7500  1
  Ru  Ru1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1239  0.2476  0.0432  1
  Cl  Cl3  8  0.1254  0.2448  0.5836  1
  Cl  Cl4  4  0.0000  0.0720  0.2500  1
]