data_[Li6Os6Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1602]
_cell_length_b [4.1602]
_cell_length_c [20.3040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2Os2Ru3]
_chemical_formula_sum '[Li6 Os6 Ru9]'
_cell_volume [304.3305]
_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  0.2446  1
  Li  Li1  3  0.0000  0.0000  0.7590  1
  Ru  Ru2  3  0.0000  0.0000  0.1249  1
  Ru  Ru3  3  0.0000  0.0000  0.3723  1
  Os  Os4  3  0.0000  0.0000  0.5042  1
  Ru  Ru5  3  0.0000  0.0000  0.6214  1
  Os  Os6  3  0.0000  0.0000  0.9986  1
]