data_MgMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.73
_cell_angle_alpha   109.49
_cell_angle_beta   109.49
_cell_angle_gamma   31.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoCl2
_chemical_formula_sum   'Mg1 Mo1 Cl2'
_cell_volume   102.07
_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
  Mg  Mg2  1  0.71  0.0  0.82  1.0
  Mo  Mo3  1  0.84  0.0  0.0  1.0
  Cl  Cl0  1  0.4  0.0  0.93  1.0
  Cl  Cl1  1  0.86  0.0  0.04  1.0

data_MgMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.54
_cell_length_c   6.73
_cell_angle_alpha   109.49
_cell_angle_beta   90.0
_cell_angle_gamma   105.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoCl2
_chemical_formula_sum   'Mg1 Mo1 Cl2'
_cell_volume   102.07
_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
  Mg  Mg0  1  0.0  0.29  0.18  1.0
  Mo  Mo1  1  0.0  0.16  1.0  1.0
  Cl  Cl2  1  0.0  0.14  0.96  1.0
  Cl  Cl3  1  0.0  0.6  0.07  1.0

Mg Mo Cl Cl
Mg Mo Cl Cl 0 1 o o + 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o + 
MgMoCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgMoCl2 cluster. Mg(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Cl(1) atom. The Mg(1)-Mo(1) bond length is 1.20 Å. The Mg(1)-Cl(1) bond length is 2.11 Å. Mo(1) is bonded in a distorted linear geometry to one Mg(1) and one Cl(2) atom. The Mo(1)-Cl(2) bond length is 0.26 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Mo(1) atom.