data_[Nd4Fe6B10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2908]
_cell_length_b [3.8478]
_cell_length_c [7.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Nd2Fe3B5]
_chemical_formula_sum '[Nd4 Fe6 B10]'
_cell_volume [250.1882]
_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  4  0.1753  0.2219  0.2619  1.0
  Fe  Fe1  4  0.1344  0.7364  0.9096  1.0
  Fe  Fe2  2  0.0000  0.0280  0.5000  1.0
  B  B3  4  0.0179  0.5189  0.6197  1.0
  B  B4  4  0.1411  0.2270  0.8181  1.0
  B  B5  2  0.0000  0.7307  0.0000  1.0
]