data_[Ba10Tb2O12]
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 [6.6970]
_cell_length_b [11.6238]
_cell_length_c [6.6605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5TbO6]
_chemical_formula_sum '[Ba10 Tb2 O12]'
_cell_volume [489.0940]
_cell_formula_units_Z [2]
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  0.0000  0.1647  0.5000  1
  Ba  Ba1  4  0.0000  0.3326  0.0000  1
  Ba  Ba2  2  0.0000  0.5000  0.5000  1
  Tb  Tb3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2188  0.1445  0.2207  1
  O  O5  4  0.2149  0.0000  0.7723  1
]