data_Ag4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag4As3
_chemical_formula_sum   'Ag4 As3'
_cell_volume   137.75
_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  0.0  0.0  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.31  1.0
  Ag  Ag2  1  0.0  0.14  0.0  1.0
  Ag  Ag3  1  0.72  0.57  0.0  1.0
  As  As4  1  0.36  0.35  0.7  1.0
  As  As5  1  0.72  0.0  0.7  1.0
  As  As6  1  0.64  0.35  0.7  1.0

data_Ag4As3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag4As3
_chemical_formula_sum   'Ag4 As3'
_cell_volume   137.75
_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  0.0  -0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.72  0.57  1.0
  Ag  Ag2  1  0.08  0.0  0.0  1.0
  Ag  Ag3  1  0.31  0.0  0.0  1.0
  As  As4  1  0.7  0.36  0.35  1.0
  As  As5  1  0.7  0.64  0.35  1.0
  As  As6  1  0.7  0.72  0.0  1.0

Ag Ag Ag Ag As As As
Ag4As3 crystallizes in the triclinic P1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to one Ag(2) and one Ag(3) atom. The Ag(1)-Ag(2) bond length is 1.23 Å. The Ag(1)-Ag(3) bond length is 0.86 Å. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Ag(1), one As(1), and one As(2) atom. The Ag(2)-As(1) bond length is 2.84 Å. The Ag(2)-As(2) bond length is 2.59 Å. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to one Ag(1), one As(1), and one As(2) atom. The Ag(3)-As(1) bond length is 2.35 Å. The Ag(3)-As(2) bond length is 2.11 Å. In the fourth Ag site, Ag(4) is bonded in a distorted single-bond geometry to one As(1), one As(2), and one As(3) atom. The Ag(4)-As(1) bond length is 2.35 Å. The Ag(4)-As(2) bond length is 2.86 Å. The Ag(4)-As(3) bond length is 1.94 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one Ag(2), one Ag(3), one Ag(4), and one As(3) atom. The As(1)-As(3) bond length is 1.55 Å. In the second As site, As(2) is bonded in a 4-coordinate geometry to one Ag(2), one Ag(3), one Ag(4), and one As(3) atom. The As(2)-As(3) bond length is 2.13 Å. In the third As site, As(3) is bonded in a 3-coordinate geometry to one Ag(4), one As(1), and one As(2) atom.