data_Fe2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   17.15
_cell_angle_beta   17.15
_cell_angle_gamma   17.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.07
_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  0.0  0.31  1.0
  Fe  Fe3  1  0.0  0.0  0.72  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.51  1.0

data_Fe2CoCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   2.53
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe4 Co2 Cu2'
_cell_volume   92.14
_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  0.28  1.0
  Fe  Fe1  2  0.0  0.0  0.69  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.49  1.0

Fe Fe Co Cu
Fe Fe Co Cu 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o + 2 2 o + - 2 2 + - o 2 2 + o - 
Fe2CoCu crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Co(1) and one Cu(1) atom. The Fe(1)-Co(1) bond length is 2.61 Å. The Fe(1)-Cu(1) bond length is 1.72 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Co(1) and one Cu(1) atom. The Fe(2)-Co(1) bond length is 2.41 Å. The Fe(2)-Cu(1) bond length is 1.72 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Fe(1); one Fe(2); and six Co(1,1) atoms to form a mixture of distorted corner and edge-sharing CoFe2Co6 hexagonal bipyramids. All Co(1)-Co(1,1) bond lengths are 2.53 Å. In the second Co site, Co(1) is bonded to one Fe(1); one Fe(2); and six Co(1,1) atoms to form a mixture of distorted corner and edge-sharing CoFe2Co6 hexagonal bipyramids. The Co(1)-Fe(1) bond length is 2.61 Å. The Co(1)-Fe(2) bond length is 2.41 Å. Both Co(1)-Co(1) bond lengths are 2.53 Å. Cu(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom.