data_[Ce1Cd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [5.5996]
_cell_length_b [5.5996]
_cell_length_c [17.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [CeCd5]
_chemical_formula_sum '[Ce1 Cd5]'
_cell_volume [488.2734]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4622  1
  Cd  Cd1  3  0.0000  0.5000  0.5739  1
  Cd  Cd2  2  0.3333  0.6667  0.4081  1
]