data_[Ba6Co3Ru3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.8153]
_cell_length_b [5.8153]
_cell_length_c [14.1420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ba2CoRuO6]
_chemical_formula_sum '[Ba6 Co3 Ru3 O18]'
_cell_volume [414.1781]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.2537  1
  Ba  Ba1  1  0.0000  0.0000  0.7490  1
  Ba  Ba2  1  0.3333  0.6667  0.0914  1
  Ba  Ba3  1  0.3333  0.6667  0.4067  1
  Ba  Ba4  1  0.6667  0.3333  0.5843  1
  Ba  Ba5  1  0.6667  0.3333  0.9126  1
  Co  Co6  1  0.0000  0.0000  0.0017  1
  Co  Co7  1  0.0000  0.0000  0.4962  1
  Co  Co8  1  0.6667  0.3333  0.3522  1
  Ru  Ru9  1  0.3333  0.6667  0.6598  1
  Ru  Ru10  1  0.3333  0.6667  0.8395  1
  Ru  Ru11  1  0.6667  0.3333  0.1593  1
  O  O12  3  0.0173  0.5087  0.7504  1
  O  O13  3  0.1705  0.3410  0.5859  1
  O  O14  3  0.1718  0.3436  0.9142  1
  O  O15  3  0.3416  0.1708  0.4160  1
  O  O16  3  0.3458  0.1729  0.0830  1
  O  O17  3  0.5164  0.0329  0.2480  1
]