data_[Nd16Si24B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.6496]
_cell_length_b [8.7047]
_cell_length_c [13.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2Si3B]
_chemical_formula_sum '[Nd16 Si24 B8]'
_cell_volume [886.7215]
_cell_formula_units_Z [8]
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  0.0000  0.2452  0.0000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Si  Si2  16  0.2301  0.0000  0.4112  1.0
  Si  Si3  8  0.0000  0.0000  0.1784  1.0
  B  B4  8  0.0000  0.0000  0.3320  1.0
]