data_[Ce16Si4Ru4]
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 [C2/c]
_cell_length_a [8.3556]
_cell_length_b [12.5379]
_cell_length_c [5.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4SiRu]
_chemical_formula_sum '[Ce16 Si4 Ru4]'
_cell_volume [560.1463]
_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
[
  Ce  Ce0  8  0.1299  0.1938  0.0847  1.0
  Ce  Ce1  8  0.1986  0.4111  0.3125  1.0
  Si  Si2  4  0.0000  0.3851  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0038  0.2500  1.0
]