data_[Tb18Re3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8873]
_cell_length_b [9.8873]
_cell_length_c [9.4069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6ReO12]
_chemical_formula_sum '[Tb18 Re3 O36]'
_cell_volume [796.4042]
_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  18  0.0421  0.2544  0.6438  1.0
  Re  Re1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0333  0.2236  0.4008  1.0
  O  O3  18  0.0373  0.1840  0.8900  1.0
]