data_Fe2CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   133.92
_cell_angle_beta   133.92
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoB
_chemical_formula_sum   'Fe2 Co1 B1'
_cell_volume   37.78
_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  Fe2  1  0.0  0.64  0.75  1.0
  Fe  Fe3  1  0.64  0.0  0.75  1.0
  Co  Co1  1  0.0  0.0  0.5  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Fe2CoB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   123.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2CoB
_chemical_formula_sum   'Fe4 Co2 B2'
_cell_volume   75.56
_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  4  0.07  0.18  0.89  1.0
  Co  Co1  2  0.0  0.5  0.5  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Fe Fe Co B
Fe Fe Co B 0 3 o + + 0 2 o o o 0 2 o + + 0 2 o + o 1 3 + o + 1 2 + o + 1 2 + o o 1 2 o o o 2 3 o o o 2 3 o o + 
Fe2CoB crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a single-bond geometry to one Co(1) and one B(1) atom. The Fe(1)-Co(1) bond length is 2.11 Å. The Fe(1)-B(1) bond length is 1.08 Å. Co(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent B(1) atoms. There is one shorter (2.09 Å) and one longer (2.11 Å) Co(1)-B(1) bond length. B(1) is bonded in a water-like geometry to two equivalent Fe(1) and two equivalent Co(1) atoms.