data_[La6Tb6Y45]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4017]
_cell_length_b [11.4017]
_cell_length_c [17.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Tb2Y15]
_chemical_formula_sum '[La6 Tb6 Y45]'
_cell_volume [1987.0812]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.0963  1
  La  La1  6  0.0000  0.0000  0.3290  1
  Y  Y2  18  0.0000  0.2978  0.0000  1
  Y  Y3  18  0.0098  0.5049  0.1396  1
  Y  Y4  9  0.0000  0.5000  0.5000  1
]