data_[La2Nd1Y12]
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 [Pmmm]
_cell_length_a [3.5627]
_cell_length_b [5.7447]
_cell_length_c [25.0934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La2NdY12]
_chemical_formula_sum '[La2 Nd1 Y12]'
_cell_volume [513.5714]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2690  1
  Nd  Nd1  1  0.5000  0.5000  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.1988  1
  Y  Y3  2  0.0000  0.0000  0.3282  1
  Y  Y4  2  0.0000  0.5000  0.1267  1
  Y  Y5  2  0.0000  0.5000  0.4161  1
  Y  Y6  2  0.5000  0.0000  0.0780  1
  Y  Y7  2  0.5000  0.0000  0.4385  1
]