data_[Ce16Si2Ru10]
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 [I-4]
_cell_length_a [8.7506]
_cell_length_b [8.7506]
_cell_length_c [8.3775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce8SiRu5]
_chemical_formula_sum '[Ce16 Si2 Ru10]'
_cell_volume [641.4960]
_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  8  0.0501  0.6969  0.4412  1.0
  Ce  Ce1  8  0.0645  0.8156  0.8296  1.0
  Si  Si2  2  0.0000  0.5000  0.7500  1.0
  Ru  Ru3  8  0.1300  0.7447  0.1117  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5000  1.0
]