data_ZrAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Sb
_chemical_formula_sum   'Zr1 Ag2 Sb1'
_cell_volume   85.92
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.57  0.57  0.08  1.0
  Ag  Ag1  1  0.57  0.57  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.36  1.0

data_ZrAg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAg2Sb
_chemical_formula_sum   'Zr2 Ag4 Sb2'
_cell_volume   171.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.07  0.5  0.08  1.0
  Ag  Ag2  2  0.07  0.5  0.63  1.0
  Sb  Sb3  2  0.0  0.0  0.36  1.0

Zr Ag Ag Sb
Zr Ag Ag Sb 0 1 - - o 0 1 - o o 0 1 o - o 0 2 - - - 0 3 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
ZrAg2Sb crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 4-coordinate geometry to three equivalent Ag(2), four equivalent Ag(1), and one Sb(1) atom. There is one shorter (3.72 Å) and two longer (3.90 Å) Zr(1)-Ag(2) bond lengths. There are a spread of Zr(1)-Ag(1) bond distances ranging from 2.03-2.63 Å. The Zr(1)-Sb(1) bond length is 3.11 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) and four equivalent Sb(1) atoms. There are a spread of Ag(1)-Sb(1) bond distances ranging from 3.08-3.50 Å. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to three equivalent Zr(1), four equivalent Ag(2), and four equivalent Sb(1) atoms. All Ag(2)-Ag(2) bond lengths are 3.14 Å. There are a spread of Ag(2)-Sb(1) bond distances ranging from 3.08-3.50 Å. Sb(1) is bonded in a 13-coordinate geometry to one Zr(1), four equivalent Ag(1), four equivalent Ag(2), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.14 Å.