data_SrAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2As
_chemical_formula_sum   'Sr1 Ag2 As1'
_cell_volume   91.96
_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
  Sr  Sr3  1  0.58  0.58  0.58  1.0
  Ag  Ag0  1  0.79  0.79  0.79  1.0
  Ag  Ag1  1  0.37  0.37  0.37  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_SrAg2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrAg2As
_chemical_formula_sum   'Sr3 Ag6 As3'
_cell_volume   275.87
_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
  Sr  Sr0  3  0.0  0.0  0.42  1.0
  Ag  Ag1  3  0.0  0.0  0.21  1.0
  Ag  Ag2  3  0.0  0.0  0.63  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Sr Ag Ag As
SrAg2As is Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to four equivalent Ag(1), four equivalent Ag(2), and three equivalent As(1) atoms. There is one shorter (2.59 Å) and three longer (3.31 Å) Sr(1)-Ag(1) bond lengths. There is one shorter (2.59 Å) and three longer (3.31 Å) Sr(1)-Ag(2) bond lengths. All Sr(1)-As(1) bond lengths are 3.11 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1) and one As(1) atom. The Ag(1)-As(1) bond length is 2.59 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and three equivalent As(1) atoms. All Ag(2)-As(1) bond lengths are 2.97 Å. As(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), one Ag(1), and three equivalent Ag(2) atoms.