data_[Rb12Ru4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1606]
_cell_length_b [9.5851]
_cell_length_c [8.7587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3RuO4]
_chemical_formula_sum '[Rb12 Ru4 O16]'
_cell_volume [685.1111]
_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
[
  Rb  Rb0  8  0.0306  0.0304  0.2678  1
  Rb  Rb1  4  0.1849  0.7500  0.0362  1
  Ru  Ru2  4  0.2197  0.7500  0.5051  1
  O  O3  8  0.1910  0.0758  0.9699  1
  O  O4  4  0.0294  0.7500  0.3911  1
  O  O5  4  0.2227  0.7500  0.7191  1
]