data_ZnFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   16.98
_cell_angle_beta   16.98
_cell_angle_gamma   16.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Ag
_chemical_formula_sum   'Zn1 Fe2 Ag1'
_cell_volume   56.26
_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  Zn3  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.84  1.0
  Fe  Fe2  1  0.0  0.0  0.1  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0

data_ZnFe2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFe2Ag
_chemical_formula_sum   'Zn2 Fe4 Ag2'
_cell_volume   112.53
_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  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.16  1.0
  Fe  Fe2  2  0.0  0.0  0.9  1.0
  Ag  Ag3  2  0.0  0.0  0.53  1.0

Zn Fe Fe Ag
Zn Fe Fe Ag 0 2 o o o 0 1 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
Fe2AgZn crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Ag(1) and one Zn(1) atom. The Fe(1)-Ag(1) bond length is 3.39 Å. The Fe(1)-Zn(1) bond length is 1.46 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Ag(1) and one Zn(1) atom. The Fe(2)-Ag(1) bond length is 3.39 Å. The Fe(2)-Zn(1) bond length is 0.88 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Fe(1); one Fe(2); and six Ag(1,1) atoms to form a mixture of edge and corner-sharing AgFe2Ag6 hexagonal bipyramids. All Ag(1)-Ag(1,1) bond lengths are 2.69 Å. In the second Ag site, Ag(1) is bonded to one Fe(1); one Fe(2); and six Ag(1,1) atoms to form a mixture of edge and corner-sharing AgFe2Ag6 hexagonal bipyramids. The Ag(1)-Fe(1) bond length is 3.39 Å. The Ag(1)-Fe(2) bond length is 3.39 Å. Both Ag(1)-Ag(1) bond lengths are 2.69 Å. Zn(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom.