data_[Li3Cu6Ru3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1335]
_cell_length_b [5.1335]
_cell_length_c [14.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiCu2RuO6]
_chemical_formula_sum '[Li3 Cu6 Ru3 O18]'
_cell_volume [321.9484]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4854  1.0
  Cu  Cu1  3  0.0000  0.0000  0.2278  1.0
  Cu  Cu2  3  0.0000  0.0000  0.7880  1.0
  Ru  Ru3  3  0.0000  0.0000  0.9932  1.0
  O  O4  9  0.0014  0.2863  0.8918  1.0
  O  O5  9  0.0042  0.6876  0.0566  1.0
]