data_Zr2AgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   18.26
_cell_angle_beta   18.26
_cell_angle_gamma   18.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgSn
_chemical_formula_sum   'Zr2 Ag1 Sn1'
_cell_volume   88.31
_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  Zr2  1  0.0  0.0  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.89  1.0

data_Zr2AgSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.2
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   100.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2AgSn
_chemical_formula_sum   'Zr4 Ag2 Sn2'
_cell_volume   176.62
_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  0.73  1.0
  Zr  Zr1  2  0.0  0.0  0.48  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Sn  Sn3  2  0.0  0.0  0.11  1.0

Zr Zr Ag Sn
Zr Zr Ag Sn 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o - 
Zr2AgSn crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one Zr(2), six equivalent Zr(1), and one Sn(1) atom. The Zr(1)-Zr(2) bond length is 2.51 Å. All Zr(1)-Zr(1) bond lengths are 3.20 Å. The Zr(1)-Sn(1) bond length is 3.80 Å. In the second Zr site, Zr(2) is bonded in a 1-coordinate geometry to one Zr(1) and one Ag(1) atom. The Zr(2)-Ag(1) bond length is 2.70 Å. Ag(1) is bonded in a distorted linear geometry to one Zr(2) and one Sn(1) atom. The Ag(1)-Sn(1) bond length is 1.09 Å. Sn(1) is bonded in a single-bond geometry to one Zr(1) and one Ag(1) atom.