data_[La8Si16Ru20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.9341]
_cell_length_b [10.3087]
_cell_length_c [12.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2Si4Ru5]
_chemical_formula_sum '[La8 Si16 Ru20]'
_cell_volume [782.9956]
_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
[
  La  La0  8  0.0000  0.0000  0.1306  1.0
  Si  Si1  16  0.0000  0.1548  0.3684  1.0
  Ru  Ru2  8  0.2500  0.2500  0.0000  1.0
  Ru  Ru3  8  0.2500  0.2500  0.2500  1.0
  Ru  Ru4  4  0.0000  0.0000  0.5000  1.0
]