data_[Ce16Sn4Ru4]
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 [C2/c]
_cell_length_a [8.0865]
_cell_length_b [14.0481]
_cell_length_c [5.8386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4SnRu]
_chemical_formula_sum '[Ce16 Sn4 Ru4]'
_cell_volume [620.9253]
_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  0.0901  0.1921  0.0910  1.0
  Ce  Ce1  8  0.2190  0.4217  0.3418  1.0
  Sn  Sn2  4  0.0000  0.3801  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0193  0.7500  1.0
]