data_MoAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   19.54
_cell_angle_beta   19.54
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu2Cl
_chemical_formula_sum   'Mo1 Au2 Cl1'
_cell_volume   71.7
_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
  Mo  Mo3  1  0.0  0.0  0.26  1.0
  Au  Au0  1  0.0  0.0  0.6  1.0
  Au  Au1  1  0.0  0.0  0.93  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_MoAu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   3.06
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAu2Cl
_chemical_formula_sum   'Mo2 Au4 Cl2'
_cell_volume   143.41
_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
  Mo  Mo0  2  0.0  0.0  0.74  1.0
  Au  Au1  2  0.0  0.0  0.07  1.0
  Au  Au2  2  0.0  0.0  0.4  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Mo Au Au Cl
MoAu2Cl crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a distorted single-bond geometry to one Au(1) and one Cl(1) atom. The Mo(1)-Au(1) bond length is 3.01 Å. The Mo(1)-Cl(1) bond length is 2.36 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Mo(1), one Au(2), and six equivalent Au(1) atoms to form a mixture of distorted edge and corner-sharing AuMoAu7 hexagonal bipyramids. The Au(1)-Au(2) bond length is 2.99 Å. All Au(1)-Au(1) bond lengths are 3.06 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Au(1) and one Cl(1) atom. The Au(2)-Cl(1) bond length is 0.65 Å. Cl(1) is bonded in a single-bond geometry to one Mo(1) and one Au(2) atom.