data_[Ce16Sn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6446]
_cell_length_b [6.9971]
_cell_length_c [14.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce8Sn2Ru]
_chemical_formula_sum '[Ce16 Sn4 Ru2]'
_cell_volume [571.5383]
_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  0.0000  0.2079  0.3762  1.0
  Ce  Ce1  4  0.0000  0.0000  0.1393  1.0
  Ce  Ce2  4  0.0000  0.2668  0.0000  1.0
  Sn  Sn3  4  0.0000  0.5000  0.1990  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]