data_MgSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbAs2
_chemical_formula_sum   'Mg1 Sb1 As2'
_cell_volume   86.07
_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  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.16  1.0
  As  As0  1  0.84  0.84  0.0  1.0
  As  As1  1  0.84  0.84  0.32  1.0

data_MgSbAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSbAs2
_chemical_formula_sum   'Mg2 Sb2 As4'
_cell_volume   172.15
_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  0.0  0.0  0.16  1.0
  As  As2  2  0.34  0.5  0.0  1.0
  As  As3  2  0.34  0.5  0.32  1.0

Mg Sb As As
MgSbAs2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgSbAs2 clusters. Mg(1) is bonded in an L-shaped geometry to one Sb(1) and one As(1) atom. The Mg(1)-Sb(1) bond length is 1.02 Å. The Mg(1)-As(1) bond length is 0.81 Å. Sb(1) is bonded in a 3-coordinate geometry to one Mg(1), one As(1), and one As(2) atom. The Sb(1)-As(1) bond length is 1.28 Å. The Sb(1)-As(2) bond length is 1.28 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Sb(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Sb(1) atom.