data_CrFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.31
_cell_angle_alpha   98.85
_cell_angle_beta   98.85
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCo2
_chemical_formula_sum   'Cr1 Fe1 Co2'
_cell_volume   42.16
_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
  Cr  Cr2  1  0.72  0.0  0.11  1.0
  Fe  Fe3  1  0.53  0.0  0.23  1.0
  Co  Co0  1  0.42  0.0  0.23  1.0
  Co  Co1  1  0.92  0.0  0.06  1.0

data_CrFeCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   4.24
_cell_length_c   4.31
_cell_angle_alpha   98.85
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCo2
_chemical_formula_sum   'Cr1 Fe1 Co2'
_cell_volume   42.16
_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
  Cr  Cr0  1  0.0  0.28  0.89  1.0
  Fe  Fe1  1  0.0  0.47  0.77  1.0
  Co  Co2  1  0.0  0.08  0.94  1.0
  Co  Co3  1  0.0  0.58  0.77  1.0

Cr Fe Co Co
CrFeCo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrFeCo2 cluster. Cr(1) is bonded in a linear geometry to one Fe(1) and one Co(2) atom. The Cr(1)-Fe(1) bond length is 1.01 Å. The Cr(1)-Co(2) bond length is 0.94 Å. Fe(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Co(1) atom. The Fe(1)-Co(1) bond length is 0.43 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Cr(1) atom.