data_Fe2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   2.45
_cell_angle_alpha   99.8
_cell_angle_beta   99.8
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.54
_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  0.84  0.97  0.16  1.0
  Fe  Fe3  1  0.84  0.03  0.16  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.48  0.0  0.0  1.0

data_Fe2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   117.1
_cell_angle_beta   99.8
_cell_angle_gamma   99.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.54
_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  0.12  0.97  0.81  1.0
  Fe  Fe1  1  0.19  0.03  0.87  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.48  1.0

Fe Fe Co Cu
Fe2CoCu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2CoCu cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Fe(2) and one Co(1) atom. The Fe(1)-Fe(2) bond length is 0.29 Å. The Fe(1)-Co(1) bond length is 0.87 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1) and one Cu(1) atom. The Fe(2)-Cu(1) bond length is 1.63 Å. Co(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. Cu(1) is bonded in a 1-coordinate geometry to one Fe(2) atom.