data_Zn2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   17.6
_cell_angle_beta   17.6
_cell_angle_gamma   17.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeCo
_chemical_formula_sum   'Zn2 Fe1 Co1'
_cell_volume   50.55
_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  0.0  0.0  0.05  1.0
  Zn  Zn3  1  0.0  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.68  1.0

data_Zn2FeCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.63
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2FeCo
_chemical_formula_sum   'Zn4 Fe2 Co2'
_cell_volume   101.1
_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
  Zn  Zn0  2  0.0  0.0  0.7  1.0
  Zn  Zn1  2  0.0  0.0  0.95  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Co  Co3  2  -0.0  0.0  0.32  1.0

Zn Zn Fe Co
Zn Zn Fe Co 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
FeCoZn2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a single-bond geometry to one Co(1) and one Zn(1) atom. The Fe(1)-Co(1) bond length is 2.77 Å. The Fe(1)-Zn(1) bond length is 0.46 Å. Co(1) is bonded to one Fe(1), six equivalent Co(1), and one Zn(2) atom to form CoZnFeCo6 hexagonal bipyramids that share corners with six equivalent Co(1)ZnFeCo6 hexagonal bipyramids, edges with six equivalent Zn(2)Zn7Co hexagonal bipyramids, and edges with twelve equivalent Co(1)ZnFeCo6 hexagonal bipyramids. All Co(1)-Co(1) bond lengths are 2.63 Å. The Co(1)-Zn(2) bond length is 3.23 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Fe(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.13 Å. In the second Zn site, Zn(2) is bonded to one Co(1), one Zn(1), and six equivalent Zn(2) atoms to form distorted ZnZn7Co hexagonal bipyramids that share corners with six equivalent Zn(2)Zn7Co hexagonal bipyramids, edges with six equivalent Co(1)ZnFeCo6 hexagonal bipyramids, and edges with twelve equivalent Zn(2)Zn7Co hexagonal bipyramids. All Zn(2)-Zn(2) bond lengths are 2.63 Å.