data_[Ce6Zn18]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3002]
_cell_length_b [5.6467]
_cell_length_c [9.3149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeZn3]
_chemical_formula_sum '[Ce6 Zn18]'
_cell_volume [466.1010]
_cell_formula_units_Z [6]
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  0.1242  0.0000  0.4419  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.1783  0.2512  0.7584  1.0
  Zn  Zn3  4  0.0824  0.5000  0.2506  1.0
  Zn  Zn4  4  0.1584  0.5000  0.9942  1.0
  Zn  Zn5  2  0.0000  0.5000  0.5000  1.0
]