data_[K4Ru4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [11.1130]
_cell_length_b [14.0285]
_cell_length_c [7.3634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRuBr5]
_chemical_formula_sum '[K4 Ru4 Br20]'
_cell_volume [947.8701]
_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
[
  K  K0  4  0.0000  0.3502  0.7500  1
  Ru  Ru1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.1764  0.1657  0.7243  1
  Br  Br3  8  0.1881  0.1061  0.2709  1
  Br  Br4  4  0.0000  0.3282  0.2500  1
]