data_[La18Tb3Y36]
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 [13.5015]
_cell_length_b [13.5015]
_cell_length_c [12.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La6TbY12]
_chemical_formula_sum '[La18 Tb3 Y36]'
_cell_volume [2004.3202]
_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  0.0404  0.5202  0.6155  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  Y  Y2  18  0.0000  0.2554  0.5000  1
  Y  Y3  18  0.0910  0.9090  0.2617  1
]