data_In2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgAs
_chemical_formula_sum   'In2 Ag1 As1'
_cell_volume   92.75
_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
  In  In2  1  0.39  0.39  0.39  1.0
  In  In3  1  0.59  0.59  0.59  1.0
  Ag  Ag0  1  0.8  0.8  0.8  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_In2AgAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2AgAs
_chemical_formula_sum   'In6 Ag3 As3'
_cell_volume   278.24
_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
  In  In0  3  0.0  0.0  0.41  1.0
  In  In1  3  0.0  0.0  0.61  1.0
  Ag  Ag2  3  0.0  0.0  0.2  1.0
  As  As3  3  0.0  0.0  -0.0  1.0

In In Ag As
In In Ag As 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o + + 1 3 + o + 1 3 + + o 1 2 o o o 2 3 + + + 2 3 + + o 2 3 o + + 2 3 + o + 
AgIn2As crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted linear geometry to one In(2), three equivalent In(1), and one As(1) atom. The Ag(1)-In(2) bond length is 2.53 Å. All Ag(1)-In(1) bond lengths are 3.07 Å. The Ag(1)-As(1) bond length is 2.53 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to three equivalent Ag(1), one In(2), and three equivalent As(1) atoms. The In(1)-In(2) bond length is 2.53 Å. All In(1)-As(1) bond lengths are 3.01 Å. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Ag(1), one In(1), and three equivalent As(1) atoms. All In(2)-As(1) bond lengths are 3.07 Å. As(1) is bonded in a 7-coordinate geometry to one Ag(1), three equivalent In(1), and three equivalent In(2) atoms.