data_[La8Ce2Sm20]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8682]
_cell_length_b [9.8682]
_cell_length_c [10.7437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La4CeSm10]
_chemical_formula_sum '[La8 Ce2 Sm20]'
_cell_volume [1046.2339]
_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  8  0.0530  0.3202  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Sm  Sm2  16  0.1194  0.2041  0.3412  1
  Sm  Sm3  4  0.0000  0.5000  0.2500  1
]