data_[Ba8Nd8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [13.1053]
_cell_length_b [6.8765]
_cell_length_c [6.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Nd2O5]
_chemical_formula_sum '[Ba8 Nd8 O20]'
_cell_volume [620.6366]
_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  8  0.2032  0.0000  0.0000  1.0
  Nd  Nd1  8  0.0000  0.1689  0.6686  1.0
  O  O2  16  0.1196  0.1563  0.3474  1.0
  O  O3  4  0.0000  0.0000  0.0000  1.0
]