data_[Ba8Nd4Cd4O20]
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
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7240]
_cell_length_b [15.2087]
_cell_length_c [11.4460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NdCdO5]
_chemical_formula_sum '[Ba8 Nd4 Cd4 O20]'
_cell_volume [648.2674]
_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  0.1113  0.6947  1.0
  Ba  Ba1  4  0.0000  0.1303  0.2913  1.0
  Nd  Nd2  4  0.0000  0.2133  0.0026  1.0
  Cd  Cd3  4  0.0000  0.4838  0.4754  1.0
  O  O4  4  0.0000  0.0601  0.0593  1.0
  O  O5  4  0.0000  0.2829  0.6418  1.0
  O  O6  4  0.0000  0.3044  0.3712  1.0
  O  O7  4  0.0000  0.3659  0.0031  1.0
  O  O8  4  0.0000  0.4983  0.7848  1.0
]