data_[K1Li2Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0542]
_cell_length_b [7.0230]
_cell_length_c [8.5362]
_cell_angle_alpha [70.7494]
_cell_angle_beta [82.7910]
_cell_angle_gamma [86.1033]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2RuCl8]
_chemical_formula_sum '[K1 Li2 Ru1 Cl8]'
_cell_volume [339.8085]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4823  0.0257  0.3245  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0927  0.9876  0.2638  1.0
  Cl  Cl4  2  0.1790  0.2990  0.8775  1.0
  Cl  Cl5  2  0.3254  0.8184  0.9571  1.0
  Cl  Cl6  2  0.4627  0.2656  0.4568  1.0
]