data_[Ce24Ni8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [11.5040]
_cell_length_b [11.5040]
_cell_length_c [11.5040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Ce3NiCl3]
_chemical_formula_sum '[Ce24 Ni8 Cl24]'
_cell_volume [1522.4704]
_cell_formula_units_Z [8]
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  24  0.1149  0.3649  0.1250  1
  Ni  Ni1  8  0.1250  0.1250  0.1250  1
  Cl  Cl2  24  0.1196  0.1304  0.6250  1
]