data_[Ba2Sr2Nd2Nb2O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0427]
_cell_length_b [6.0932]
_cell_length_c [8.5664]
_cell_angle_alpha [89.6585]
_cell_angle_beta [89.6148]
_cell_angle_gamma [89.9136]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSrNdNbO6]
_chemical_formula_sum '[Ba2 Sr2 Nd2 Nb2 O12]'
_cell_volume [315.3964]
_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  0.0051  0.0267  0.7495  1
  Sr  Sr1  2  0.4907  0.5348  0.7476  1
  Nd  Nd2  1  0.0000  0.5000  0.5000  1
  Nd  Nd3  1  0.5000  0.0000  0.0000  1
  Nb  Nb4  1  0.0000  0.5000  0.0000  1
  Nb  Nb5  1  0.5000  0.0000  0.5000  1
  O  O6  2  0.0890  0.5040  0.2301  1
  O  O7  2  0.1983  0.7636  0.9616  1
  O  O8  2  0.2330  0.8043  0.5276  1
  O  O9  2  0.2638  0.3034  0.9500  1
  O  O10  2  0.3105  0.2706  0.5491  1
  O  O11  2  0.4327  0.0437  0.2699  1
]