data_MgSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc
_chemical_formula_sum   'Mg2 Sc2'
_cell_volume   94.41
_cell_formula_units_Z   2
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  0.62  0.0  0.44  1.0
  Mg  Mg1  1  0.0  0.62  0.59  1.0
  Sc  Sc2  1  0.62  0.0  0.88  1.0
  Sc  Sc3  1  0.0  0.62  0.15  1.0

data_MgSc
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MgSc
_chemical_formula_sum   'Mg4 Sc4'
_cell_volume   188.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.19  0.0  0.58  1.0
  Sc  Sc1  4  0.19  0.0  0.13  1.0

Mg Mg Sc Sc
MgSc crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 1-coordinate geometry to one Mg(1) and three equivalent Sc(1) atoms. The Mg(1)-Mg(1) bond length is 2.24 Å. There is one shorter (3.16 Å) and two longer (3.53 Å) Mg(1)-Sc(1) bond lengths. Sc(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1) and seven equivalent Sc(1) atoms. There are a spread of Sc(1)-Sc(1) bond distances ranging from 2.94-3.33 Å.