data_FeNiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiB
_chemical_formula_sum   'Fe1 Ni1 B1'
_cell_volume   28.39
_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  0.07  0.28  1.0
  Ni  Ni2  1  0.79  0.03  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_FeNiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   3.58
_cell_length_c   3.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiB
_chemical_formula_sum   'Fe1 Ni1 B1'
_cell_volume   28.39
_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  Fe0  1  0.28  0.0  0.07  1.0
  Ni  Ni1  1  -0.0  0.79  0.03  1.0
  B  B2  1  0.0  0.0  0.0  1.0

Fe Ni B
Fe Ni B 0 2 o o o 1 2 + o o 
FeNiB is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeNiB cluster. Fe(1) is bonded in a distorted single-bond geometry to one B(1) atom. The Fe(1)-B(1) bond length is 0.75 Å. Ni(1) is bonded in a 1-coordinate geometry to one B(1) atom. The Ni(1)-B(1) bond length is 0.82 Å. B(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Ni(1) atom.