data_[Ba8H4Ru12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.0407]
_cell_length_b [9.8987]
_cell_length_c [12.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [Ba2HRu3O10]
_chemical_formula_sum '[Ba8 H4 Ru12 O40]'
_cell_volume [843.0070]
_cell_formula_units_Z [4]
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  0.2205  0.1650  0.1062  1
  Ba  Ba1  4  0.2214  0.6286  0.8888  1
  Ru  Ru2  4  0.0637  0.5079  0.1480  1
  Ru  Ru3  4  0.0757  0.9943  0.8406  1
  H  H4  4  0.1355  0.8741  0.0266  1
  Ru  Ru5  4  0.2470  0.7561  0.2460  1
  O  O6  4  0.0047  0.8498  0.2670  1
  O  O7  4  0.0071  0.3271  0.7251  1
  O  O8  4  0.0262  0.4362  0.0102  1
  O  O9  4  0.0455  0.9440  0.0031  1
  O  O10  4  0.1244  0.5945  0.3006  1
  O  O11  4  0.1343  0.0709  0.6942  1
  O  O12  4  0.1588  0.6917  0.1014  1
  O  O13  4  0.1714  0.1717  0.8861  1
  O  O14  4  0.1791  0.5635  0.6537  1
  O  O15  4  0.1820  0.0994  0.3453  1
]