data_Mg2CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   18.21
_cell_angle_beta   18.21
_cell_angle_gamma   18.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdIr
_chemical_formula_sum   'Mg2 Cd1 Ir1'
_cell_volume   74.11
_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  0.41  1.0
  Mg  Mg3  1  0.0  0.0  0.74  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.07  1.0

data_Mg2CdIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CdIr
_chemical_formula_sum   'Mg4 Cd2 Ir2'
_cell_volume   148.22
_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  0.26  1.0
  Mg  Mg1  2  0.0  0.0  0.59  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.93  1.0

Mg Mg Cd Ir
Mg2IrCd crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(2), six equivalent Mg(1), and one Ir(1) atom. The Mg(1)-Mg(2) bond length is 3.11 Å. All Mg(1)-Mg(1) bond lengths are 3.02 Å. The Mg(1)-Ir(1) bond length is 3.21 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) and one Cd(1) atom. The Mg(2)-Cd(1) bond length is 2.52 Å. Ir(1) is bonded in a single-bond geometry to one Mg(1) and one Cd(1) atom. The Ir(1)-Cd(1) bond length is 0.69 Å. Cd(1) is bonded in a single-bond geometry to one Mg(2) and one Ir(1) atom.