data_[K4Ru6O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5621]
_cell_length_b [6.3497]
_cell_length_c [5.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ru3O8]
_chemical_formula_sum '[K4 Ru6 O16]'
_cell_volume [401.6932]
_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
[
  K  K0  4  0.2224  0.5000  0.6773  1
  Ru  Ru1  4  0.0000  0.2607  0.0000  1
  Ru  Ru2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0814  0.2117  0.3679  1
  O  O4  4  0.0838  0.0000  0.8939  1
  O  O5  4  0.0965  0.5000  0.0006  1
]