data_[Tb6Pr18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1018]
_cell_length_b [10.1018]
_cell_length_c [11.7912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TbPr3O6]
_chemical_formula_sum '[Tb6 Pr18 O36]'
_cell_volume [1042.0437]
_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  3  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  3  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  18  0.0384  0.2658  0.7094  1.0
  O  O3  18  0.0276  0.1851  0.3750  1.0
  O  O4  18  0.0286  0.2142  0.9053  1.0
]