data_[Ce6Si8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0922]
_cell_length_b [4.2324]
_cell_length_c [23.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3(SiRu)4]
_chemical_formula_sum '[Ce6 Si8 Ru8]'
_cell_volume [412.6978]
_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
[
  Ce  Ce0  4  0.0000  0.5000  0.3521  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Si  Si2  4  0.0000  0.0000  0.0495  1.0
  Si  Si3  4  0.0000  0.5000  0.2003  1.0
  Ru  Ru4  4  0.0000  0.0000  0.2495  1.0
  Ru  Ru5  4  0.0000  0.5000  0.0978  1.0
]