data_[Ba2Tb2Al2O8]
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
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6832]
_cell_length_b [5.8074]
_cell_length_c [7.2154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTbAlO4]
_chemical_formula_sum '[Ba2 Tb2 Al2 O8]'
_cell_volume [226.3094]
_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  2  0.2928  0.2500  0.0711  1.0
  Tb  Tb1  2  0.1984  0.2500  0.5381  1.0
  Al  Al2  2  0.2549  0.7500  0.3312  1.0
  O  O3  4  0.0384  0.5184  0.3013  1.0
  O  O4  2  0.4450  0.7500  0.1773  1.0
  O  O5  2  0.4635  0.7500  0.5686  1.0
]