data_[K1Ru1Br1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0119]
_cell_length_b [7.0801]
_cell_length_c [7.5073]
_cell_angle_alpha [66.4470]
_cell_angle_beta [62.2586]
_cell_angle_gamma [71.6245]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KRuBrCl6]
_chemical_formula_sum '[K1 Ru1 Br1 Cl6]'
_cell_volume [298.5202]
_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  0.6091  0.6593  0.6671  1.0
  Ru  Ru1  1  0.3413  0.4798  0.3441  1.0
  Br  Br2  1  0.1028  0.9786  0.9000  1.0
  Cl  Cl3  1  0.0578  0.6668  0.2128  1.0
  Cl  Cl4  1  0.0717  0.2567  0.5882  1.0
  Cl  Cl5  1  0.1862  0.6799  0.5734  1.0
  Cl  Cl6  1  0.4663  0.2810  0.1207  1.0
  Cl  Cl7  1  0.5760  0.7153  0.0941  1.0
  Cl  Cl8  1  0.5886  0.2826  0.4997  1.0
]