data_Mg2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   28.27
_cell_angle_beta   28.27
_cell_angle_gamma   28.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sb3
_chemical_formula_sum   'Mg2 Sb3'
_cell_volume   139.32
_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  0.0  0.67  1.0
  Mg  Mg1  1  0.0  0.0  0.92  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.1  1.0
  Sb  Sb4  1  0.0  0.0  0.48  1.0

data_Mg2Sb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.52
_cell_length_b   4.34
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2Sb3
_chemical_formula_sum   'Mg4 Sb6'
_cell_volume   278.64
_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  0.08  1.0
  Mg  Mg1  2  0.0  0.0  0.33  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.52  1.0
  Sb  Sb4  2  0.0  0.0  0.9  1.0

Mg Mg Sb Sb Sb
MgSbMgSb2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgSb clusters and two MgSb2 clusters. In each MgSb cluster, Mg(1) is bonded in a single-bond geometry to one Sb(3) atom. The Mg(1)-Sb(3) bond length is 1.68 Å. Sb(3) is bonded in a single-bond geometry to one Mg(1) atom. In each MgSb2 cluster, Mg(2) is bonded in a single-bond geometry to one Sb(1) atom. The Mg(2)-Sb(1) bond length is 0.74 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Mg(2) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 0.93 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Sb(1) atom.