data_Zn4FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4FeCo
_chemical_formula_sum   'Zn4 Fe1 Co1'
_cell_volume   81.33
_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
  Zn  Zn2  1  0.58  0.3  0.3  1.0
  Zn  Zn3  1  0.3  0.3  0.58  1.0
  Zn  Zn4  1  0.3  0.58  0.3  1.0
  Zn  Zn5  1  0.58  0.58  0.58  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.16  0.16  0.16  1.0

data_Zn4FeCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   11.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4FeCo
_chemical_formula_sum   'Zn12 Fe3 Co3'
_cell_volume   243.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Zn  Zn0  9  0.09  0.19  0.61  1.0
  Zn  Zn1  3  0.0  0.0  0.42  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0
  Co  Co3  3  0.0  0.0  0.84  1.0

Zn Zn Zn Zn Fe Co
FeCoZn4 crystallizes in the trigonal R3m space group. Fe(1) is bonded in a 4-coordinate geometry to one Co(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. The Fe(1)-Co(1) bond length is 1.88 Å. All Fe(1)-Zn(1) bond lengths are 2.14 Å. All Fe(1)-Zn(2) bond lengths are 2.99 Å. Co(1) is bonded in a 4-coordinate geometry to one Fe(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Co(1)-Zn(1) bond lengths are 2.34 Å. All Co(1)-Zn(2) bond lengths are 3.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one Fe(1), one Co(1), one Zn(2), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 2.37 Å. Both Zn(1)-Zn(1) bond lengths are 1.37 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1), three equivalent Co(1), and three equivalent Zn(1) atoms.