data_ZrAg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   7.09
_cell_angle_alpha   105.76
_cell_angle_beta   105.76
_cell_angle_gamma   29.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg5
_chemical_formula_sum   'Zr1 Ag5'
_cell_volume   112.29
_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  Zr5  1  0.22  0.0  0.39  1.0
  Ag  Ag0  1  0.24  0.0  0.06  1.0
  Ag  Ag1  1  0.82  0.0  0.9  1.0
  Ag  Ag2  1  0.87  0.0  0.28  1.0
  Ag  Ag3  1  0.41  0.0  0.11  1.0
  Ag  Ag4  1  0.48  0.0  0.54  1.0

data_ZrAg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.82
_cell_length_c   7.09
_cell_angle_alpha   105.76
_cell_angle_beta   90.0
_cell_angle_gamma   104.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg5
_chemical_formula_sum   'Zr1 Ag5'
_cell_volume   112.29
_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  Zr0  1  0.0  0.78  0.61  1.0
  Ag  Ag1  1  0.0  0.13  0.72  1.0
  Ag  Ag2  1  0.0  0.18  0.1  1.0
  Ag  Ag3  1  0.0  0.52  0.46  1.0
  Ag  Ag4  1  0.0  0.59  0.89  1.0
  Ag  Ag5  1  0.0  0.76  0.94  1.0

Zr Ag Ag Ag Ag Ag
ZrAg5 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 2-coordinate geometry to one Ag(3) and one Ag(5) atom. The Zr(1)-Ag(3) bond length is 2.01 Å. The Zr(1)-Ag(5) bond length is 1.58 Å. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 1-coordinate geometry to one Ag(4) and two equivalent Ag(2) atoms. The Ag(1)-Ag(4) bond length is 0.96 Å. There is one shorter (2.36 Å) and one longer (3.25 Å) Ag(1)-Ag(2) bond length. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to one Ag(3), one Ag(4), one Ag(5), two equivalent Ag(1), and two equivalent Ag(2) atoms. The Ag(2)-Ag(3) bond length is 2.63 Å. The Ag(2)-Ag(4) bond length is 3.14 Å. The Ag(2)-Ag(5) bond length is 2.82 Å. Both Ag(2)-Ag(2) bond lengths are 2.93 Å. In the third Ag site, Ag(3) is bonded in a single-bond geometry to one Zr(1) and one Ag(2) atom. In the fourth Ag site, Ag(4) is bonded in a distorted single-bond geometry to one Ag(1) and one Ag(2) atom. In the fifth Ag site, Ag(5) is bonded in a single-bond geometry to one Zr(1) and one Ag(2) atom.