data_Mg2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoCl
_chemical_formula_sum   'Mg2 Mo1 Cl1'
_cell_volume   80.24
_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  Mg1  1  0.0  0.56  0.53  1.0
  Mg  Mg2  1  0.56  0.0  0.53  1.0
  Mo  Mo3  1  0.56  0.56  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Mg2MoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2MoCl
_chemical_formula_sum   'Mg4 Mo2 Cl2'
_cell_volume   160.47
_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
  Mg  Mg0  4  0.28  0.28  0.53  1.0
  Mo  Mo1  2  0.06  0.5  -0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Mg Mg Mo Cl
Mg Mg Mo Cl 0 2 - o o 0 2 - o + 0 2 o o o 0 2 o o + 0 1 - + o 0 3 o o o 0 3 o o + 0 3 o + o 0 3 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 1 2 o - + 1 2 o o o 1 2 o o + 1 1 o o + 2 2 o o + 2 3 + + o 3 3 o o + 
Mg2MoCl crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and two equivalent Cl(1) atoms. There are a spread of Mg(1)-Mo(1) bond distances ranging from 2.68-3.29 Å. There is one shorter (2.68 Å) and one longer (2.79 Å) Mg(1)-Cl(1) bond length. Mo(1) is bonded in a 8-coordinate geometry to eight equivalent Mg(1) atoms. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1) atoms.