data_[Cs4Ru4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7969]
_cell_length_b [6.9334]
_cell_length_c [13.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRuBr6]
_chemical_formula_sum '[Cs4 Ru4 Br24]'
_cell_volume [1134.3684]
_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
[
  Cs  Cs0  4  0.0000  0.3847  0.7500  1
  Ru  Ru1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.0739  0.1291  0.3950  1
  Br  Br3  8  0.1604  0.4527  0.0420  1
  Br  Br4  8  0.2150  0.0880  0.6586  1
]