data_[Ce2Mg4Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0839]
_cell_length_b [5.0839]
_cell_length_c [12.7524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CeMg2Cd3]
_chemical_formula_sum '[Ce2 Mg4 Cd6]'
_cell_volume [285.4405]
_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  2  0.3333  0.6667  0.6634  1
  Mg  Mg1  2  0.3333  0.6667  0.1659  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  Mg  Mg3  1  0.0000  0.0000  0.5000  1
  Cd  Cd4  2  0.0000  0.0000  0.2331  1
  Cd  Cd5  2  0.3333  0.6667  0.4180  1
  Cd  Cd6  2  0.3333  0.6667  0.9208  1
]