data_[Ce6Al18Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4526]
_cell_length_b [9.8584]
_cell_length_c [12.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3Al9Si2]
_chemical_formula_sum '[Ce6 Al18 Si4]'
_cell_volume [545.9535]
_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  0.0000  0.0000  0.3169  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.2727  0.1325  1
  Al  Al3  8  0.0000  0.3670  0.3375  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
  Si  Si5  4  0.0000  0.2083  0.5000  1
]