data_FeCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Bi
_chemical_formula_sum   'Fe1 Co2 Bi1'
_cell_volume   60.7
_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  Fe3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.54  0.54  0.12  1.0
  Co  Co2  1  0.54  0.54  0.27  1.0
  Bi  Bi0  1  0.0  0.0  0.19  1.0

data_FeCo2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeCo2Bi
_chemical_formula_sum   'Fe2 Co4 Bi2'
_cell_volume   121.39
_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  0.0  1.0
  Co  Co1  2  0.04  0.5  0.12  1.0
  Co  Co2  2  0.04  0.5  0.27  1.0
  Bi  Bi3  2  0.0  0.0  0.19  1.0

Fe Co Co Bi
Fe Co Co Bi 0 3 o o o 1 2 o o o 
(Co)2BiFe1 is alpha Niobium phosphide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two bismuthanylidyneiron molecules and two Co clusters. In each Co cluster, there are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Co(2) atom. The Co(1)-Co(2) bond length is 0.92 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Co(1) atom.