data_[La36Tb3Sm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.7128]
_cell_length_b [19.7128]
_cell_length_c [6.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La12TbSm7]
_chemical_formula_sum '[La36 Tb3 Sm21]'
_cell_volume [2162.7894]
_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  18  -0.0000  0.4076  0.5000  1
  La  La1  18  0.0965  0.5483  0.9783  1
  Tb  Tb2  3  0.0000  0.0000  0.0000  1
  Sm  Sm3  18  0.0836  0.1673  0.8010  1
  Sm  Sm4  3  0.0000  0.0000  0.5000  1
]