data_[Ba8Tb4Ni4O20]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5555]
_cell_length_b [15.2674]
_cell_length_c [11.3116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbNiO5]
_chemical_formula_sum '[Ba8 Tb4 Ni4 O20]'
_cell_volume [614.0339]
_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  0.1122  0.6776  1.0
  Ba  Ba1  4  0.0000  0.1361  0.3313  1.0
  Tb  Tb2  4  0.0000  0.1978  0.0310  1.0
  Ni  Ni3  4  0.0000  0.4522  0.4315  1.0
  O  O4  4  0.0000  0.0364  0.0034  1.0
  O  O5  4  0.0000  0.2956  0.6582  1.0
  O  O6  4  0.0000  0.3288  0.3940  1.0
  O  O7  4  0.0000  0.3391  0.0086  1.0
  O  O8  4  0.0000  0.4959  0.7884  1.0
]