data_[Ba8Tb8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [26.1663]
_cell_length_b [4.0816]
_cell_length_c [8.0210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTbO]
_chemical_formula_sum '[Ba8 Tb8 O8]'
_cell_volume [856.5152]
_cell_formula_units_Z [8]
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  4  0.0705  0.5000  0.8640  1.0
  Ba  Ba1  4  0.0771  0.0000  0.3654  1.0
  Tb  Tb2  4  0.2104  0.5000  0.6210  1.0
  Tb  Tb3  4  0.2118  0.5000  0.1240  1.0
  O  O4  4  0.2491  0.0000  0.6231  1.0
  O  O5  4  0.2495  0.5000  0.8738  1.0
]