data_[Ce16Si4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3678]
_cell_length_b [13.2800]
_cell_length_c [5.5739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Si2Sn]
_chemical_formula_sum '[Ce16 Si4 Sn2]'
_cell_volume [593.7880]
_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  0.1782  0.1091  0.0730  1.0
  Ce  Ce1  4  0.0000  0.2449  0.5000  1.0
  Ce  Ce2  4  0.0886  0.5000  0.3257  1.0
  Si  Si3  4  0.0000  0.3118  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
]