data_[Ba4Nd2Bi2O12]
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 [P2_1/c]
_cell_length_a [6.2650]
_cell_length_b [6.2506]
_cell_length_c [10.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NdBiO6]
_chemical_formula_sum '[Ba4 Nd2 Bi2 O12]'
_cell_volume [345.4942]
_cell_formula_units_Z [2]
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  0.2421  0.0181  0.2489  1
  Nd  Nd1  2  0.5000  0.0000  0.0000  1
  Bi  Bi2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1783  0.2380  0.9618  1
  O  O4  4  0.2217  0.7195  0.9626  1
  O  O5  4  0.3080  0.0121  0.7385  1
]