data_[Ba20Na8Ru12O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.9807]
_cell_length_b [10.2981]
_cell_length_c [24.5200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Na2Ru3O14]
_chemical_formula_sum '[Ba20 Na8 Ru12 O56]'
_cell_volume [1510.1819]
_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  0.0000  0.0056  0.6511  1
  Ba  Ba1  4  0.0000  0.0059  0.3289  1
  Ba  Ba2  4  0.0000  0.3298  0.9357  1
  Ba  Ba3  4  0.0000  0.3362  0.2428  1
  Ba  Ba4  4  0.0000  0.3387  0.5445  1
  Na  Na5  4  0.0000  0.3384  0.3957  1
  Na  Na6  4  0.0000  0.3444  0.0944  1
  Ru  Ru7  4  0.0000  0.0066  0.4916  1
  Ru  Ru8  4  0.0000  0.3270  0.7991  1
  Ru  Ru9  4  0.0000  0.3321  0.6861  1
  O  O10  8  0.2202  0.1071  0.9609  1
  O  O11  8  0.2221  0.0562  0.5441  1
  O  O12  8  0.2262  0.4030  0.7439  1
  O  O13  8  0.2325  0.2478  0.8397  1
  O  O14  8  0.2368  0.2611  0.6438  1
  O  O15  4  0.0000  0.1457  0.4454  1
  O  O16  4  0.0000  0.1768  0.7412  1
  O  O17  4  0.0000  0.4814  0.8415  1
  O  O18  4  0.0000  0.4931  0.6506  1
]