data_Co2AgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.32
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AgSe
_chemical_formula_sum   'Co2 Ag1 Se1'
_cell_volume   61.19
_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
  Co  Co1  1  0.0  0.0  0.35  1.0
  Co  Co2  1  0.44  0.66  0.45  1.0
  Ag  Ag0  1  0.44  0.66  0.1  1.0
  Se  Se3  1  0.0  0.0  0.71  1.0

data_Co2AgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.32
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AgSe
_chemical_formula_sum   'Co2 Ag1 Se1'
_cell_volume   61.19
_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
  Co  Co0  1  0.0  0.0  0.35  1.0
  Co  Co1  1  0.44  0.66  0.45  1.0
  Ag  Ag2  1  0.44  0.66  0.1  1.0
  Se  Se3  1  0.0  0.0  0.71  1.0

Co Co Ag Se
Co Co Ag Se 0 1 - - o 0 1 o - o 0 2 o - o 0 2 - - o 0 3 o o o 1 2 o o o 1 3 + + o 1 3 o + o 2 3 o + - 3 3 + o o 
Co2AgSe crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Co(2), two equivalent Ag(1), and one Se(1) atom. There is one shorter (1.82 Å) and one longer (2.08 Å) Co(1)-Co(2) bond length. There is one shorter (2.33 Å) and one longer (2.54 Å) Co(1)-Ag(1) bond length. The Co(1)-Se(1) bond length is 2.35 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to two equivalent Co(1), one Ag(1), and four equivalent Se(1) atoms. The Co(2)-Ag(1) bond length is 2.27 Å. There are a spread of Co(2)-Se(1) bond distances ranging from 2.39-3.20 Å. Ag(1) is bonded in a 5-coordinate geometry to one Co(2), two equivalent Co(1), and two equivalent Se(1) atoms. There is one shorter (2.98 Å) and one longer (3.15 Å) Ag(1)-Se(1) bond length. Se(1) is bonded in a 9-coordinate geometry to one Co(1), four equivalent Co(2), two equivalent Ag(1), and two equivalent Se(1) atoms. Both Se(1)-Se(1) bond lengths are 2.88 Å.