data_Ag3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag3 Mo1'
_cell_volume   68.19
_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
  Ag  Ag0  1  0.39  0.39  0.64  1.0
  Ag  Ag1  1  0.39  0.39  0.19  1.0
  Ag  Ag2  1  0.0  0.0  0.42  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Ag3Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag3Mo
_chemical_formula_sum   'Ag6 Mo2'
_cell_volume   136.37
_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
  Ag  Ag0  2  0.0  0.0  0.42  1.0
  Ag  Ag1  2  0.39  0.0  0.19  1.0
  Ag  Ag2  2  0.39  0.0  0.64  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Ag Ag Ag Mo
Ag Ag Ag Mo 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MoAg3 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 1-coordinate geometry to one Ag(1) and one Ag(2) atom. The Mo(1)-Ag(1) bond length is 3.53 Å. The Mo(1)-Ag(2) bond length is 2.29 Å. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 8-coordinate geometry to one Mo(1), four equivalent Ag(1), and four equivalent Ag(3) atoms. All Ag(1)-Ag(1) bond lengths are 2.78 Å. There are a spread of Ag(1)-Ag(3) bond distances ranging from 2.50-3.11 Å. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to one Mo(1) and four equivalent Ag(3) atoms. There are a spread of Ag(2)-Ag(3) bond distances ranging from 2.50-3.11 Å. In the third Ag site, Ag(3) is bonded to four equivalent Ag(1), four equivalent Ag(2), and four equivalent Ag(3) atoms to form a mixture of distorted corner and face-sharing AgAg12 cuboctahedra. All Ag(3)-Ag(3) bond lengths are 2.78 Å.