data_[Ba8Tb4Er4O20]
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
  Er  1.2400  1.7500  1.0300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6935]
_cell_length_b [14.4395]
_cell_length_c [12.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbErO5]
_chemical_formula_sum '[Ba8 Tb4 Er4 O20]'
_cell_volume [654.1076]
_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  0.0921  0.6763  1.0
  Ba  Ba1  4  0.0000  0.1496  0.2933  1.0
  Tb  Tb2  4  0.0000  0.2230  0.0211  1.0
  Er  Er3  4  0.0000  0.4689  0.4532  1.0
  O  O4  4  0.0000  0.0602  0.0367  1.0
  O  O5  4  0.0000  0.2714  0.6475  1.0
  O  O6  4  0.0000  0.3109  0.4105  1.0
  O  O7  4  0.0000  0.3785  0.9999  1.0
  O  O8  4  0.0000  0.4918  0.7854  1.0
]