data_[K4Ru2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4913]
_cell_length_b [7.9849]
_cell_length_c [8.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2RuI6]
_chemical_formula_sum '[K4 Ru2 I12]'
_cell_volume [720.3888]
_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  0.2494  0.5000  0.2544  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0384  0.2396  0.8092  1.0
  I  I3  4  0.2441  0.0000  0.3060  1.0
]