data_[Tb6Ti3Ni3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4937]
_cell_length_b [5.4937]
_cell_length_c [13.7685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2TiNiO6]
_chemical_formula_sum '[Tb6 Ti3 Ni3 O18]'
_cell_volume [359.8699]
_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  3  0.0000  0.0000  0.2213  1.0
  Tb  Tb1  3  0.0000  0.0000  0.7233  1.0
  Ti  Ti2  3  0.0000  0.0000  0.9968  1.0
  Ni  Ni3  3  0.0000  0.0000  0.4972  1.0
  O  O4  9  0.0017  0.5975  0.2615  1.0
  O  O5  9  0.0267  0.4102  0.7589  1.0
]