data_[Ba8Tb4Tl4O20]
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
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6383]
_cell_length_b [15.0173]
_cell_length_c [11.6587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbTlO5]
_chemical_formula_sum '[Ba8 Tb4 Tl4 O20]'
_cell_volume [637.0045]
_cell_formula_units_Z [4]
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  0.1107  0.6946  1.0
  Ba  Ba1  4  0.0000  0.1394  0.2897  1.0
  Tb  Tb2  4  0.0000  0.2182  0.0096  1.0
  Tl  Tl3  4  0.0000  0.4781  0.4639  1.0
  O  O4  4  0.0000  0.0605  0.0580  1.0
  O  O5  4  0.0000  0.2803  0.6385  1.0
  O  O6  4  0.0000  0.3097  0.3857  1.0
  O  O7  4  0.0000  0.3674  0.0011  1.0
  O  O8  4  0.0000  0.4943  0.7830  1.0
]