data_[Ba2Tb2O8]
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 [5.9668]
_cell_length_b [4.8325]
_cell_length_c [6.6127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTbO4]
_chemical_formula_sum '[Ba2 Tb2 O8]'
_cell_volume [189.7392]
_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  0.0000  0.5000  0.5000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0451  0.0000  0.3257  1
  O  O3  4  0.0991  0.5000  0.9389  1
]