data_CaFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   143.95
_cell_angle_beta   132.91
_cell_angle_gamma   60.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe2Ag
_chemical_formula_sum   'Ca1 Fe2 Ag1'
_cell_volume   70.99
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.7  0.0  0.49  1.0
  Fe  Fe3  1  0.0  0.2  0.25  1.0
  Ag  Ag0  1  0.0  0.0  0.75  1.0

data_CaFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.39
_cell_length_c   5.5
_cell_angle_alpha   113.55
_cell_angle_beta   108.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe2Ag
_chemical_formula_sum   'Ca1 Fe2 Ag1'
_cell_volume   70.99
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.49  0.79  1.0
  Fe  Fe2  1  0.8  0.06  0.06  1.0
  Ag  Ag3  1  0.0  0.75  0.75  1.0

Ca Fe Fe Ag
CaFe2Ag crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaFe2Ag cluster. Ca(1) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Ag(1) atom. The Ca(1)-Fe(2) bond length is 0.82 Å. The Ca(1)-Ag(1) bond length is 1.40 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Ag(1) atom. The Fe(1)-Ag(1) bond length is 1.23 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Ca(1) atom. Ag(1) is bonded in a distorted water-like geometry to one Ca(1) and one Fe(1) atom.