data_AgAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsSe2
_chemical_formula_sum   'Ag1 As1 Se2'
_cell_volume   80.18
_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
  Ag  Ag0  1  0.42  0.42  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.42  0.71  1.0
  Se  Se3  1  0.42  0.0  0.71  1.0

data_AgAsSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgAsSe2
_chemical_formula_sum   'Ag2 As2 Se4'
_cell_volume   160.35
_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
  Ag  Ag0  2  0.42  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Se  Se2  4  0.21  0.21  0.71  1.0

Ag As Se Se
Ag As Se Se 0 2 o o - 0 3 o o - 1 3 o o - 1 2 o o - 
AgAsSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AgAsSe2 clusters. Ag(1) is bonded in a 2-coordinate geometry to two equivalent Se(1) atoms. Both Ag(1)-Se(1) bond lengths are 2.24 Å. As(1) is bonded in a 2-coordinate geometry to two equivalent Se(1) atoms. Both As(1)-Se(1) bond lengths are 2.24 Å. Se(1) is bonded in a 2-coordinate geometry to one Ag(1) and one As(1) atom.