data_Zr2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgMo
_chemical_formula_sum   'Zr2 Ag1 Mo1'
_cell_volume   78.11
_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  0.43  0.43  0.36  1.0
  Zr  Zr3  1  0.0  0.0  0.51  1.0
  Ag  Ag0  1  0.43  0.43  0.88  1.0
  Mo  Mo1  1  0.0  0.0  0.01  1.0

data_Zr2AgMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2AgMo
_chemical_formula_sum   'Zr4 Ag2 Mo2'
_cell_volume   156.22
_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  0.51  1.0
  Zr  Zr1  2  0.43  0.0  0.36  1.0
  Ag  Ag2  2  0.43  0.0  0.88  1.0
  Mo  Mo3  2  0.0  0.0  0.01  1.0

Zr Zr Ag Mo
Zr Zr Ag Mo 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 0 + o o 0 0 o + o 1 1 + o o 1 1 o + o 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
Zr2MoAg crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and three equivalent Mo(1) atoms. All Zr(1)-Zr(1) bond lengths are 2.87 Å. There are a spread of Zr(1)-Zr(2) bond distances ranging from 2.25-2.69 Å. There is one shorter (3.80 Å) and two longer (3.94 Å) Zr(1)-Mo(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and one Ag(1) atom. All Zr(2)-Zr(2) bond lengths are 2.87 Å. The Zr(2)-Ag(1) bond length is 3.89 Å. Mo(1) is bonded in a 4-coordinate geometry to three equivalent Zr(1) and four equivalent Ag(1) atoms. There are a spread of Mo(1)-Ag(1) bond distances ranging from 2.16-2.61 Å. Ag(1) is bonded in a 4-coordinate geometry to one Zr(2) and four equivalent Mo(1) atoms.