data_[Nd16B16O44F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7911]
_cell_length_b [4.6926]
_cell_length_c [13.8982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4B4O11F2]
_chemical_formula_sum '[Nd16 B16 O44 F8]'
_cell_volume [899.2294]
_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  8  0.0584  0.4754  0.3704  1
  Nd  Nd1  8  0.2213  0.4780  0.1278  1
  B  B2  8  0.0927  0.0195  0.2146  1
  B  B3  8  0.0942  0.0485  0.5264  1
  O  O4  8  0.0800  0.3364  0.5368  1
  O  O5  8  0.0870  0.1274  0.1069  1
  O  O6  8  0.1001  0.2801  0.7251  1
  O  O7  8  0.1124  0.0561  0.9367  1
  O  O8  8  0.1723  0.1830  0.2572  1
  O  O9  4  0.0000  0.1439  0.2500  1
  F  F10  8  0.2308  0.4784  0.4252  1
]