data_[La20Ce2Nd8]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0210]
_cell_length_b [10.0210]
_cell_length_c [10.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La10CeNd4]
_chemical_formula_sum '[La20 Ce2 Nd8]'
_cell_volume [1065.2110]
_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  16  0.1184  0.1991  0.3426  1
  La  La1  4  0.0000  0.5000  0.2500  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  8  0.0456  0.3179  0.0000  1
]