data_[Ce12Fe4Si4]
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 [7.1248]
_cell_length_b [5.4170]
_cell_length_c [11.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3FeSi]
_chemical_formula_sum '[Ce12 Fe4 Si4]'
_cell_volume [444.9687]
_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  4  0.1029  0.5000  0.7632  1.0
  Ce  Ce1  4  0.2048  0.5000  0.0896  1.0
  Ce  Ce2  4  0.2147  0.5000  0.4338  1.0
  Fe  Fe3  4  0.0108  0.0000  0.1055  1.0
  Si  Si4  4  0.0452  0.0000  0.3188  1.0
]