data_[Ce22Zn18Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.7943]
_cell_length_b [20.6656]
_cell_length_c [3.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce11Zn9Ni4]
_chemical_formula_sum '[Ce22 Zn18 Ni8]'
_cell_volume [1024.6136]
_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  8  0.2367  0.1803  0.0000  1
  Ce  Ce1  4  0.0000  0.1590  0.0000  1
  Ce  Ce2  4  0.0000  0.3739  0.0000  1
  Ce  Ce3  4  0.1925  0.5000  0.0000  1
  Ce  Ce4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.0976  0.2681  0.5000  1
  Zn  Zn6  8  0.1514  0.0709  0.5000  1
  Zn  Zn7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1531  0.3986  0.5000  1
]