data_[La8Nd16Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.1640]
_cell_length_b [11.9946]
_cell_length_c [6.1534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2Nd4Y3]
_chemical_formula_sum '[La8 Nd16 Y12]'
_cell_volume [1255.3492]
_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  0.1058  0.3873  0.7856  1.0
  Nd  Nd1  8  0.0612  0.1088  0.5402  1.0
  Nd  Nd2  8  0.2309  0.3893  0.3695  1.0
  Y  Y3  8  0.1649  0.1472  0.0864  1.0
  Y  Y4  4  0.0000  0.3518  0.2500  1.0
]