data_[Nd4Al12B16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2448]
_cell_length_b [9.3697]
_cell_length_c [11.0854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdAl3(BO3)4]
_chemical_formula_sum '[Nd4 Al12 B16 O48]'
_cell_volume [733.0737]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.0000  0.0376  0.2500  1
  Al  Al1  8  0.0558  0.2503  0.5287  1
  Al  Al2  4  0.0000  0.4106  0.7500  1
  B  B3  8  0.1928  0.3150  0.2219  1
  B  B4  8  0.2485  0.4710  0.9946  1
  O  O5  8  0.0606  0.2430  0.1371  1
  O  O6  8  0.0950  0.0988  0.9378  1
  O  O7  8  0.0951  0.3976  0.9258  1
  O  O8  8  0.1601  0.2631  0.7053  1
  O  O9  8  0.1877  0.4584  0.2423  1
  O  O10  8  0.2493  0.1193  0.4964  1
]