data_[La6Sm18Y9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6404]
_cell_length_b [3.6404]
_cell_length_c [98.6084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2(Sm2Y)3]
_chemical_formula_sum '[La6 Sm18 Y9]'
_cell_volume [1131.7575]
_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  6  0.0000  0.0000  0.4538  1.0
  Sm  Sm1  6  0.0000  0.0000  0.0893  1.0
  Sm  Sm2  6  0.0000  0.0000  0.1817  1.0
  Sm  Sm3  6  0.0000  0.0000  0.3630  1.0
  Y  Y4  6  0.0000  0.0000  0.2737  1.0
  Y  Y5  3  0.0000  0.0000  0.0000  1.0
]