data_[La6Nd3Y3]
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 [R3m]
_cell_length_a [3.7007]
_cell_length_b [3.7007]
_cell_length_c [35.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2NdY]
_chemical_formula_sum '[La6 Nd3 Y3]'
_cell_volume [426.4471]
_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  0.0841  1.0
  La  La1  3  0.0000  0.0000  0.2484  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6680  1.0
  Y  Y3  3  0.0000  0.0000  0.4995  1.0
]