data_MgSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Cl
_chemical_formula_sum   'Mg1 Sb2 Cl1'
_cell_volume   98.48
_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  0.0  0.0  1.0
  Sb  Sb2  1  0.74  0.74  0.78  1.0
  Sb  Sb3  1  0.74  0.74  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.05  1.0

data_MgSb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSb2Cl
_chemical_formula_sum   'Mg2 Sb4 Cl2'
_cell_volume   196.96
_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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.24  0.5  0.32  1.0
  Sb  Sb2  2  0.24  0.5  0.78  1.0
  Cl  Cl3  2  0.0  0.0  0.05  1.0

Mg Sb Sb Cl
Mg Sb Sb Cl 0 3 o o o 0 1 - - - 0 2 - - o 1 3 + + + 2 3 + + o 
MgSb2Cl is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgSb2Cl clusters. Mg(1) is bonded in a single-bond geometry to one Sb(1) and one Cl(1) atom. The Mg(1)-Sb(1) bond length is 2.17 Å. The Mg(1)-Cl(1) bond length is 0.42 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Cl(1) atom. The Sb(2)-Cl(1) bond length is 2.52 Å. Cl(1) is bonded in a single-bond geometry to one Mg(1) and one Sb(2) atom.