data_[La12Er12Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3164]
_cell_length_b [11.8323]
_cell_length_c [16.1230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Er3Cd2]
_chemical_formula_sum '[La12 Er12 Cd8]'
_cell_volume [1014.2267]
_cell_formula_units_Z [4]
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  8  0.0000  0.0380  0.6065  1
  La  La1  4  0.0000  0.2704  0.7500  1
  Er  Er2  8  0.0000  0.3584  0.5382  1
  Er  Er3  4  0.0000  0.4506  0.2500  1
  Cd  Cd4  8  0.0000  0.2415  0.1281  1
]