data_YAg3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg3As
_chemical_formula_sum   'Y1 Ag3 As1'
_cell_volume   154.75
_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
  Y  Y0  1  0.68  0.68  0.68  1.0
  Ag  Ag2  1  0.68  0.0  0.68  1.0
  Ag  Ag3  1  0.68  0.68  0.0  1.0
  Ag  Ag4  1  0.0  0.68  0.68  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_YAg3As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YAg3As
_chemical_formula_sum   'Y3 Ag9 As3'
_cell_volume   464.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Y  Y0  3  0.0  0.0  0.68  1.0
  Ag  Ag1  9  0.21  0.11  0.79  1.0
  As  As2  3  0.0  0.0  0.0  1.0

Y Ag Ag Ag As
Y Ag Ag Ag As 0 3 + o o 0 1 o + o 0 2 o o + 1 4 + o + 2 4 + + o 3 4 o + + 
YAg3As is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three YAg3As clusters. Y(1) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms. All Y(1)-Ag(1) bond lengths are 1.69 Å. Ag(1) is bonded in a distorted single-bond geometry to one Y(1) and one As(1) atom. The Ag(1)-As(1) bond length is 2.40 Å. As(1) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms.