data_[Ru4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [5.9079]
_cell_length_b [5.9079]
_cell_length_c [17.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [RuO2]
_chemical_formula_sum '[Ru4 O8]'
_cell_volume [537.3865]
_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
[
  Ru  Ru0  3  0.0000  0.4091  0.5538  1
  Ru  Ru1  1  0.0000  0.0000  0.4542  1
  O  O2  6  0.1409  0.3915  0.4465  1
  O  O3  2  0.3333  0.6667  0.6028  1
]