data_[La3Nd36Y21]
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 [R-3]
_cell_length_a [15.3982]
_cell_length_b [15.3982]
_cell_length_c [10.1690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LaNd12Y7]
_chemical_formula_sum '[La3 Nd36 Y21]'
_cell_volume [2088.0988]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  18  0.0441  0.7964  0.5760  1
  Nd  Nd2  18  0.0452  0.8451  0.2542  1
  Y  Y3  18  0.0657  0.8187  0.9267  1
  Y  Y4  3  0.0000  0.0000  0.5000  1
]