data_[Ce16Fe2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4377]
_cell_length_b [5.0850]
_cell_length_c [6.2622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8FeSi2]
_chemical_formula_sum '[Ce16 Fe2 Si4]'
_cell_volume [521.6712]
_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  4  0.0020  0.0000  0.7786  1.0
  Ce  Ce1  4  0.0836  0.5000  0.7670  1.0
  Ce  Ce2  4  0.1532  0.5000  0.3669  1.0
  Ce  Ce3  4  0.2237  0.0000  0.1921  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Si  Si5  4  0.1659  0.0000  0.6521  1.0
]