data_[Tb18Y6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7029]
_cell_length_b [9.7029]
_cell_length_c [11.4052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb3YO6]
_chemical_formula_sum '[Tb18 Y6 O36]'
_cell_volume [929.8919]
_cell_formula_units_Z [6]
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  18  0.0388  0.7733  0.7098  1
  Y  Y1  3  0.0000  0.0000  0.0000  1
  Y  Y2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0263  0.8078  0.9032  1
  O  O4  18  0.0281  0.8406  0.3702  1
]