data_[La10Ce2Nd8]
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 [C2/m]
_cell_length_a [17.7171]
_cell_length_b [3.6419]
_cell_length_c [11.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5CeNd4]
_chemical_formula_sum '[La10 Ce2 Nd8]'
_cell_volume [714.0800]
_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  4  0.1921  0.0000  0.5875  1
  La  La1  4  0.2035  0.0000  0.1058  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.0000  1
  Nd  Nd4  4  0.0856  0.0000  0.7973  1
  Nd  Nd5  4  0.1041  0.5000  0.2952  1
]