data_[Li8Ru4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2347]
_cell_length_b [2.6380]
_cell_length_c [6.5843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2Ru]
_chemical_formula_sum '[Li8 Ru4]'
_cell_volume [169.7358]
_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
[
  Li  Li0  2  0.0049  0.0000  0.0129  1
  Li  Li1  2  0.1092  0.5000  0.7175  1
  Li  Li2  2  0.1639  0.5000  0.3298  1
  Li  Li3  2  0.3377  0.0000  0.6702  1
  Ru  Ru4  2  0.2833  0.0000  0.0584  1
  Ru  Ru5  2  0.4343  0.5000  0.3780  1
]