data_Ba6Ru3(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   14.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ru3(ClO6)2
_chemical_formula_sum   'Ba6 Ru3 Cl2 O12'
_cell_volume   436.88
_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
  Ba  Ba0  1  0.0  0.37  0.18  1.0
  Ba  Ba1  1  0.91  0.68  0.22  1.0
  Ba  Ba2  1  0.0  0.37  0.43  1.0
  Ba  Ba3  1  0.91  0.68  0.42  1.0
  Ba  Ba4  1  0.0  0.37  0.63  1.0
  Ba  Ba5  1  0.91  0.68  0.66  1.0
  Ru  Ru20  1  0.0  0.0  0.0  1.0
  Ru  Ru21  1  0.0  0.0  0.58  1.0
  Ru  Ru22  1  0.0  0.0  0.26  1.0
  Cl  Cl6  1  0.91  0.68  0.31  1.0
  Cl  Cl7  1  0.0  0.37  0.54  1.0
  O  O8  1  0.45  0.8  0.22  1.0
  O  O9  1  0.91  0.45  0.22  1.0
  O  O10  1  0.38  0.8  0.22  1.0
  O  O11  1  0.51  0.24  0.58  1.0
  O  O12  1  0.0  0.62  0.58  1.0
  O  O13  1  0.49  0.24  0.58  1.0
  O  O14  1  0.91  0.43  0.26  1.0
  O  O15  1  0.43  0.81  0.26  1.0
  O  O16  1  0.4  0.81  0.26  1.0
  O  O17  1  0.53  0.25  0.62  1.0
  O  O18  1  0.0  0.6  0.62  1.0
  O  O19  1  0.47  0.25  0.62  1.0

data_Ba6Ru3(ClO6)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   14.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ru3(ClO6)2
_chemical_formula_sum   'Ba6 Ru3 Cl2 O12'
_cell_volume   436.88
_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
  Ba  Ba0  1  0.0  0.37  0.18  1.0
  Ba  Ba1  1  0.0  0.37  0.43  1.0
  Ba  Ba2  1  0.0  0.37  0.63  1.0
  Ba  Ba3  1  0.91  0.68  0.22  1.0
  Ba  Ba4  1  0.91  0.68  0.42  1.0
  Ba  Ba5  1  0.91  0.68  0.66  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.0  0.0  0.26  1.0
  Ru  Ru8  1  0.0  0.0  0.58  1.0
  Cl  Cl9  1  0.0  0.37  0.54  1.0
  Cl  Cl10  1  0.91  0.68  0.31  1.0
  O  O11  1  0.0  0.6  0.62  1.0
  O  O12  1  0.0  0.62  0.58  1.0
  O  O13  1  0.38  0.8  0.22  1.0
  O  O14  1  0.4  0.81  0.26  1.0
  O  O15  1  0.43  0.81  0.26  1.0
  O  O16  1  0.45  0.8  0.22  1.0
  O  O17  1  0.47  0.25  0.62  1.0
  O  O18  1  0.49  0.24  0.58  1.0
  O  O19  1  0.51  0.24  0.58  1.0
  O  O20  1  0.53  0.25  0.62  1.0
  O  O21  1  0.91  0.43  0.26  1.0
  O  O22  1  0.91  0.45  0.22  1.0

Ba Ba Ba Ba Ba Ba Ru Ru Ru Cl Cl O O O O O O O O O O O O