data_[Ce4Si12Ni20]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6808]
_cell_length_b [11.7581]
_cell_length_c [11.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeSi3Ni5]
_chemical_formula_sum '[Ce4 Si12 Ni20]'
_cell_volume [501.3471]
_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  0.0000  0.1604  0.2500  1
  Si  Si1  8  0.0000  0.3829  0.5394  1
  Si  Si2  4  0.0000  0.1146  0.7500  1
  Ni  Ni3  8  0.0000  0.1966  0.5666  1
  Ni  Ni4  8  0.0000  0.4495  0.1457  1
  Ni  Ni5  4  0.0000  0.0000  0.0000  1
]