data_MgScIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   148.68
_cell_angle_beta   148.68
_cell_angle_gamma   44.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScIr
_chemical_formula_sum   'Mg1 Sc1 Ir1'
_cell_volume   56.53
_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  0.94  1.0
  Sc  Sc2  1  0.0  0.0  0.01  1.0
  Ir  Ir0  1  0.0  0.0  0.04  1.0

data_MgScIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgScIr
_chemical_formula_sum   'Mg2 Sc2 Ir2'
_cell_volume   113.06
_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  0.44  0.5  0.94  1.0
  Sc  Sc1  2  0.01  0.0  0.01  1.0
  Ir  Ir2  2  0.04  0.0  0.04  1.0

Mg Sc Ir
Mg Sc Ir 0 1 o o + 1 2 o o o 
MgScIr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgScIr clusters. Mg(1) is bonded in a single-bond geometry to one Sc(1) atom. The Mg(1)-Sc(1) bond length is 0.41 Å. Sc(1) is bonded in a distorted linear geometry to one Mg(1) and one Ir(1) atom. The Sc(1)-Ir(1) bond length is 0.17 Å. Ir(1) is bonded in a single-bond geometry to one Sc(1) atom.