data_ZrAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.99
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Ge
_chemical_formula_sum   'Zr1 Ag2 Ge1'
_cell_volume   75.88
_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  0.32  0.0  0.52  1.0
  Ag  Ag0  1  0.27  0.5  0.8  1.0
  Ag  Ag1  1  0.37  0.5  0.24  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_ZrAg2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   4.99
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrAg2Ge
_chemical_formula_sum   'Zr1 Ag2 Ge1'
_cell_volume   75.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.32  0.0  0.52  1.0
  Ag  Ag1  1  0.27  0.5  0.8  1.0
  Ag  Ag2  1  0.37  0.5  0.24  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Zr Ag Ag Ge
Zr Ag Ag Ge 0 1 o - o 0 1 o o o 0 3 o o o 0 3 o o + 0 3 + o + 0 0 + o o 0 2 o - o 0 2 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 1 + o o 1 2 o o o 1 2 o o + 2 3 o o o 2 3 o + o 2 3 + + o 2 3 + o o 2 2 + o o 3 3 + o o 
ZrAg2Ge crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Ag(1), two equivalent Ag(2), and four equivalent Ge(1) atoms. Both Zr(1)-Zr(1) bond lengths are 3.02 Å. There is one shorter (2.86 Å) and one longer (2.89 Å) Zr(1)-Ag(1) bond length. There is one shorter (2.86 Å) and one longer (2.89 Å) Zr(1)-Ag(2) bond length. There are a spread of Zr(1)-Ge(1) bond distances ranging from 2.68-3.44 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ge(1) atoms. Both Ag(1)-Ag(1) bond lengths are 3.02 Å. There is one shorter (2.25 Å) and one longer (2.84 Å) Ag(1)-Ag(2) bond length. There is one shorter (2.83 Å) and one longer (2.86 Å) Ag(1)-Ge(1) bond length. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and two equivalent Ag(1) atoms. Ge(1) is bonded in a 2-coordinate geometry to four equivalent Zr(1) and two equivalent Ag(1) atoms.