data_[Ba6Tm3Hf3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0859]
_cell_length_b [6.0859]
_cell_length_c [14.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ba2TmHfO6]
_chemical_formula_sum '[Ba6 Tm3 Hf3 O18]'
_cell_volume [477.0876]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.2501  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Hf  Hf2  3  -0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0103  0.5308  0.2476  1.0
]