data_[Ba2Sr2Nd2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  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 [P-1]
_cell_length_a [6.1548]
_cell_length_b [6.2289]
_cell_length_c [8.7509]
_cell_angle_alpha [90.1936]
_cell_angle_beta [90.2786]
_cell_angle_gamma [90.0506]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSrNdBiO6]
_chemical_formula_sum '[Ba2 Sr2 Nd2 Bi2 O12]'
_cell_volume [335.4871]
_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  2  0.0066  0.0318  0.2499  1.0
  Sr  Sr1  2  0.4908  0.5392  0.2515  1.0
  Nd  Nd2  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0948  0.5150  0.7622  1.0
  O  O7  2  0.2001  0.7766  0.0428  1.0
  O  O8  2  0.2227  0.7975  0.4626  1.0
  O  O9  2  0.2798  0.3025  0.0503  1.0
  O  O10  2  0.3075  0.2829  0.4510  1.0
  O  O11  2  0.4270  0.0431  0.7386  1.0
]