data_[Ce6Si42Ru18]
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 [R-3c]
_cell_length_a [7.6629]
_cell_length_b [7.6629]
_cell_length_c [20.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [CeSi7Ru3]
_chemical_formula_sum '[Ce6 Si42 Ru18]'
_cell_volume [1017.9637]
_cell_formula_units_Z [6]
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  6  0.0000  -0.0000  0.0000  1
  Si  Si1  36  0.0076  0.8074  0.1385  1
  Si  Si2  6  0.0000  0.0000  0.2500  1
  Ru  Ru3  18  0.0000  0.3282  0.7500  1
]