data_MgSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Sb
_chemical_formula_sum   'Mg1 Sc2 Sb1'
_cell_volume   90.29
_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  0.0  1.0
  Sc  Sc2  1  0.58  0.83  0.65  1.0
  Sc  Sc3  1  0.58  0.17  0.65  1.0
  Sb  Sb1  1  0.16  0.0  0.0  1.0

data_MgSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   107.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Sb
_chemical_formula_sum   'Mg1 Sc2 Sb1'
_cell_volume   90.29
_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  0.0  1.0
  Sc  Sc1  1  0.65  0.58  0.17  1.0
  Sc  Sc2  1  0.65  0.58  0.83  1.0
  Sb  Sb3  1  0.0  0.16  0.0  1.0

Mg Sc Sc Sb
MgSc2Sb crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to two equivalent Sc(1) and one Sb(1) atom. There is one shorter (2.44 Å) and one longer (3.02 Å) Mg(1)-Sc(1) bond length. The Mg(1)-Sb(1) bond length is 0.88 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(2), and two equivalent Sb(1) atoms. Both Sc(1)-Sc(1) bond lengths are 3.29 Å. There is one shorter (1.77 Å) and one longer (3.59 Å) Sc(1)-Sc(2) bond length. There is one shorter (2.89 Å) and one longer (3.40 Å) Sc(1)-Sb(1) bond length. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and one Sb(1) atom. The Sc(2)-Sb(1) bond length is 2.44 Å. Sb(1) is bonded in a distorted single-bond geometry to one Mg(1), one Sc(2), and two equivalent Sc(1) atoms.