data_[La12Nd8Y16]
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 [16.7321]
_cell_length_b [12.0673]
_cell_length_c [6.2605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3(NdY2)2]
_chemical_formula_sum '[La12 Nd8 Y16]'
_cell_volume [1252.4253]
_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  0.1635  0.1416  0.0916  1.0
  La  La1  4  0.0000  0.3803  0.2500  1.0
  Nd  Nd2  8  0.1127  0.3659  0.7943  1.0
  Y  Y3  8  0.0571  0.1165  0.5368  1.0
  Y  Y4  8  0.2270  0.3844  0.3628  1.0
]