data_[Ba8Nd4Bi4O20]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7783]
_cell_length_b [14.9792]
_cell_length_c [12.3897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NdBiO5]
_chemical_formula_sum '[Ba8 Nd4 Bi4 O20]'
_cell_volume [701.2016]
_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  0.1045  0.6963  1.0
  Ba  Ba1  4  0.0000  0.1421  0.2640  1.0
  Nd  Nd2  4  0.0000  0.2299  0.0040  1.0
  Bi  Bi3  4  0.0000  0.4765  0.4664  1.0
  O  O4  4  0.0000  0.0681  0.0562  1.0
  O  O5  4  0.0000  0.2713  0.6343  1.0
  O  O6  4  0.0000  0.2939  0.3857  1.0
  O  O7  4  0.0000  0.3847  0.0287  1.0
  O  O8  4  0.0000  0.4870  0.7883  1.0
]