data_[Ba6Ru6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7945]
_cell_length_b [5.7945]
_cell_length_c [14.2397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [BaRuO3]
_chemical_formula_sum '[Ba6 Ru6 O18]'
_cell_volume [414.0644]
_cell_formula_units_Z [6]
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  4  0.3333  0.6667  0.4119  1
  Ba  Ba1  2  0.0000  0.0000  0.2500  1
  Ru  Ru2  4  0.3333  0.6667  0.8395  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  O  O4  12  0.1647  0.3295  0.5803  1
  O  O5  6  0.0214  0.5107  0.7500  1
]