data_[Ba8Ce4Nd4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7746]
_cell_length_b [15.1708]
_cell_length_c [12.0103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CeNdO5]
_chemical_formula_sum '[Ba8 Ce4 Nd4 O20]'
_cell_volume [687.7543]
_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  0.1096  0.6990  1.0
  Ba  Ba1  4  0.0000  0.1378  0.2693  1.0
  Ce  Ce2  4  0.0000  0.4760  0.4654  1.0
  Nd  Nd3  4  0.0000  0.2280  0.0054  1.0
  O  O4  4  0.0000  0.0697  0.0513  1.0
  O  O5  4  0.0000  0.2754  0.6395  1.0
  O  O6  4  0.0000  0.3098  0.3869  1.0
  O  O7  4  0.0000  0.3811  0.0205  1.0
  O  O8  4  0.0000  0.4925  0.7866  1.0
]