data_FeAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.99
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Se
_chemical_formula_sum   'Fe1 Ag2 Se1'
_cell_volume   68.77
_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  0.0  1.0
  Ag  Ag0  1  0.91  0.0  0.25  1.0
  Ag  Ag1  1  0.0  0.99  0.25  1.0
  Se  Se3  1  0.91  0.99  0.0  1.0

data_FeAg2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.83
_cell_length_b   3.99
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeAg2Se
_chemical_formula_sum   'Fe1 Ag2 Se1'
_cell_volume   68.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Fe0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.25  1.0
  Ag  Ag2  1  0.91  0.0  0.25  1.0
  Se  Se3  1  0.91  0.0  -0.0  1.0

Fe Ag Ag Se
FeAg2Se is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeAg2Se cluster. Fe(1) is bonded in a single-bond geometry to one Ag(2) and one Se(1) atom. The Fe(1)-Ag(2) bond length is 1.14 Å. The Fe(1)-Se(1) bond length is 0.33 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in an L-shaped geometry to one Ag(2) and one Se(1) atom. The Ag(1)-Ag(2) bond length is 0.33 Å. The Ag(1)-Se(1) bond length is 1.14 Å. In the second Ag site, Ag(2) is bonded in a distorted L-shaped geometry to one Fe(1) and one Ag(1) atom. Se(1) is bonded in a single-bond geometry to one Fe(1) and one Ag(1) atom.