data_[Li6Ru2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0534]
_cell_length_b [6.9901]
_cell_length_c [5.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li3RuO4]
_chemical_formula_sum '[Li6 Ru2 O8]'
_cell_volume [168.8476]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0000  0.2444  0.6675  1.0
  Li  Li1  2  0.0000  0.5000  0.1712  1.0
  Ru  Ru2  2  0.0000  0.0000  0.1660  1.0
  O  O3  4  0.0000  0.2285  0.3234  1.0
  O  O4  2  0.0000  0.0000  0.8544  1.0
  O  O5  2  0.0000  0.5000  0.8316  1.0
]