data_[Li2Si2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0917]
_cell_length_b [2.8628]
_cell_length_c [4.1419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSiRu2]
_chemical_formula_sum '[Li2 Si2 Ru4]'
_cell_volume [101.8927]
_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  2  0.2510  0.5000  0.2249  1
  Si  Si1  2  0.0077  0.5000  0.5320  1
  Ru  Ru2  2  0.2462  0.0000  0.7150  1
  Ru  Ru3  2  0.4950  0.5000  0.0281  1
]