data_[Ba4Nd2Al2O10]
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
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.4859]
_cell_length_b [6.2086]
_cell_length_c [7.6666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ba2NdAlO5]
_chemical_formula_sum '[Ba4 Nd2 Al2 O10]'
_cell_volume [315.0622]
_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  0.1388  0.2576  0.3906  1.0
  Ba  Ba1  2  0.3088  0.7558  0.1466  1.0
  Nd  Nd2  2  0.3975  0.7604  0.6617  1.0
  Al  Al3  2  0.1720  0.2746  0.8347  1.0
  O  O4  2  0.0900  0.7374  0.3414  1.0
  O  O5  2  0.2310  0.5453  0.7963  1.0
  O  O6  2  0.2358  0.2382  0.0892  1.0
  O  O7  2  0.3095  0.0868  0.7644  1.0
  O  O8  2  0.4952  0.4919  0.5129  1.0
]