data_[Nd2B8O14]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.9412]
_cell_length_b [4.4815]
_cell_length_c [4.2888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdB4O7]
_chemical_formula_sum '[Nd2 B8 O14]'
_cell_volume [210.2916]
_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
[
  Nd  Nd0  2  0.0000  0.2272  0.0979  1
  B  B1  4  0.1217  0.6767  0.5939  1
  B  B2  4  0.2453  0.8260  0.0701  1
  O  O3  4  0.1310  0.7461  0.9251  1
  O  O4  4  0.1490  0.3639  0.5349  1
  O  O5  4  0.2153  0.8777  0.4192  1
  O  O6  2  0.0000  0.7467  0.4706  1
]