data_AgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2
_chemical_formula_sum   'Ag4 Sb8'
_cell_volume   315.39
_cell_formula_units_Z   4
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  0.4  0.0  0.4  1.0
  Ag  Ag1  1  0.0  0.4  0.4  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.4  0.4  0.0  1.0
  Sb  Sb4  1  0.84  0.24  0.97  1.0
  Sb  Sb5  1  0.97  0.56  0.84  1.0
  Sb  Sb6  1  0.24  0.97  0.84  1.0
  Sb  Sb7  1  0.56  0.84  0.97  1.0
  Sb  Sb8  1  0.97  0.84  0.24  1.0
  Sb  Sb9  1  0.84  0.97  0.56  1.0
  Sb  Sb10  1  0.56  0.56  0.56  1.0
  Sb  Sb11  1  0.24  0.24  0.24  1.0

data_AgSb2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AgSb2
_chemical_formula_sum   'Ag12 Sb24'
_cell_volume   946.17
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Ag  Ag0  9  0.06  0.53  0.94  1.0
  Ag  Ag1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  9  0.05  0.23  0.79  1.0
  Sb  Sb3  9  0.16  0.72  0.68  1.0
  Sb  Sb4  3  0.0  0.0  0.24  1.0
  Sb  Sb5  3  0.0  0.0  0.56  1.0

Ag Ag Ag Ag Sb Sb Sb Sb Sb Sb Sb Sb
AgSb2 crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to one Sb(3), one Sb(4), two equivalent Sb(1), and two equivalent Sb(2) atoms. The Ag(1)-Sb(3) bond length is 3.35 Å. The Ag(1)-Sb(4) bond length is 2.26 Å. There is one shorter (3.17 Å) and one longer (3.35 Å) Ag(1)-Sb(1) bond length. There is one shorter (3.17 Å) and one longer (3.35 Å) Ag(1)-Sb(2) bond length. In the second Ag site, Ag(2) is bonded in a distorted trigonal planar geometry to one Sb(4), three equivalent Sb(1), and three equivalent Sb(2) atoms. The Ag(2)-Sb(4) bond length is 2.86 Å. All Ag(2)-Sb(1) bond lengths are 1.99 Å. All Ag(2)-Sb(2) bond lengths are 3.17 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Ag(2), two equivalent Ag(1), and three equivalent Sb(2) atoms. There is one shorter (2.51 Å) and two longer (3.32 Å) Sb(1)-Sb(2) bond lengths. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Ag(2), two equivalent Ag(1), one Sb(3), two equivalent Sb(2), and three equivalent Sb(1) atoms. The Sb(2)-Sb(3) bond length is 3.32 Å. Both Sb(2)-Sb(2) bond lengths are 3.44 Å. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one Ag(2) and three equivalent Ag(1) atoms.