data_[Ba4Nd2Ti2O10]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.5350]
_cell_length_b [6.1908]
_cell_length_c [7.6163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ba2NdTiO5]
_chemical_formula_sum '[Ba4 Nd2 Ti2 O10]'
_cell_volume [325.1886]
_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  0.1682  0.7412  0.3462  1
  Ba  Ba1  2  0.3583  0.2405  0.1279  1
  Nd  Nd2  2  0.1208  0.7524  0.8542  1
  Ti  Ti3  2  0.3386  0.2708  0.6511  1
  O  O4  2  0.0115  0.4796  0.9857  1
  O  O5  2  0.1992  0.2622  0.3812  1
  O  O6  2  0.2084  0.0815  0.7449  1
  O  O7  2  0.2834  0.5571  0.6966  1
  O  O8  2  0.4015  0.7625  0.1504  1
]