data_[La2Ce2Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0116]
_cell_length_b [7.0838]
_cell_length_c [11.6586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaCeCd6]
_chemical_formula_sum '[La2 Ce2 Cd12]'
_cell_volume [413.8932]
_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
[
  La  La0  2  0.5000  0.0000  0.5985  1.0
  Ce  Ce1  2  0.0000  0.0000  0.9023  1.0
  Cd  Cd2  4  0.0000  0.2177  0.1657  1.0
  Cd  Cd3  4  0.5000  0.2239  0.3371  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4137  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0804  1.0
]