data_FeSiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   138.63
_cell_angle_beta   138.63
_cell_angle_gamma   59.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiB
_chemical_formula_sum   'Fe1 Si1 B1'
_cell_volume   27.65
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.0  0.0  0.54  1.0
  Si  Si2  1  0.0  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.06  1.0

data_FeSiB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   119.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSiB
_chemical_formula_sum   'Fe2 Si2 B2'
_cell_volume   55.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Fe  Fe0  2  0.0  0.0  0.46  1.0
  Si  Si1  2  0.0  0.0  0.68  1.0
  B  B2  2  0.0  0.0  0.94  1.0

Fe Si B
FeSiB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeSiB clusters. Fe(1) is bonded in a distorted single-bond geometry to one Si(1) atom. The Fe(1)-Si(1) bond length is 0.88 Å. B(1) is bonded in a distorted single-bond geometry to one Si(1) atom. The B(1)-Si(1) bond length is 1.06 Å. Si(1) is bonded in a linear geometry to one Fe(1) and one B(1) atom.