data_[La20Nd8Y12]
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 [11.1655]
_cell_length_b [14.8413]
_cell_length_c [10.2782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Nd2Y3]
_chemical_formula_sum '[La20 Nd8 Y12]'
_cell_volume [1433.1836]
_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  0.2450  0.1290  0.7462  1
  La  La1  4  0.0000  0.0254  0.2500  1
  La  La2  4  0.0000  0.2782  0.7500  1
  La  La3  4  0.0000  0.4870  0.7500  1
  Nd  Nd4  8  0.1561  0.3731  0.5638  1
  Y  Y5  8  0.1509  0.1259  0.0544  1
  Y  Y6  4  0.0000  0.2333  0.2500  1
]