data_[Sn8Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.3133]
_cell_length_b [8.2218]
_cell_length_c [8.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [SnRu3]
_chemical_formula_sum '[Sn8 Ru24]'
_cell_volume [499.3543]
_cell_formula_units_Z [8]
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
[
  Sn  Sn0  8  0.0000  0.2286  0.0000  1
  Ru  Ru1  8  0.0000  0.0000  0.2295  1
  Ru  Ru2  8  0.2000  0.0000  0.5000  1
  Ru  Ru3  8  0.2500  0.2500  0.2500  1
]