data_Zr2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReAg
_chemical_formula_sum   'Zr2 Re1 Ag1'
_cell_volume   77.85
_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  0.66  0.66  0.13  1.0
  Zr  Zr3  1  0.66  0.66  0.93  1.0
  Re  Re1  1  0.0  0.0  0.53  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Zr2ReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2ReAg
_chemical_formula_sum   'Zr4 Re2 Ag2'
_cell_volume   155.7
_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  0.16  0.5  0.13  1.0
  Zr  Zr1  2  0.16  0.5  0.93  1.0
  Re  Re2  2  0.0  0.0  0.53  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Zr Zr Re Ag
Zr2ReAg crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one Zr(2), three equivalent Re(1), and one Ag(1) atom. The Zr(1)-Zr(2) bond length is 1.40 Å. There is one shorter (3.24 Å) and two longer (3.75 Å) Zr(1)-Re(1) bond lengths. The Zr(1)-Ag(1) bond length is 1.83 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Zr(1), three equivalent Re(1), and one Ag(1) atom. There is one shorter (3.24 Å) and two longer (3.75 Å) Zr(2)-Re(1) bond lengths. The Zr(2)-Ag(1) bond length is 1.67 Å. Re(1) is bonded in a 11-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), four equivalent Re(1), and one Ag(1) atom. All Re(1)-Re(1) bond lengths are 3.32 Å. The Re(1)-Ag(1) bond length is 3.33 Å. Ag(1) is bonded in a 2-coordinate geometry to one Zr(1), one Zr(2), and one Re(1) atom.