data_HfMg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.54
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ir
_chemical_formula_sum   'Hf1 Mg2 Ir1'
_cell_volume   76.82
_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
  Hf  Hf0  1  0.93  0.0  0.62  1.0
  Mg  Mg2  1  0.12  0.0  0.57  1.0
  Mg  Mg3  1  0.59  0.77  0.64  1.0
  Ir  Ir1  1  0.54  0.77  0.88  1.0

data_HfMg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.54
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ir
_chemical_formula_sum   'Hf1 Mg2 Ir1'
_cell_volume   76.82
_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
  Hf  Hf0  1  0.93  0.0  0.62  1.0
  Mg  Mg1  1  0.12  0.0  0.57  1.0
  Mg  Mg2  1  0.59  0.77  0.64  1.0
  Ir  Ir3  1  0.54  0.77  0.88  1.0

Hf Mg Mg Ir
Mg2HfIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2HfIr cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. The Mg(1)-Hf(1) bond length is 0.70 Å. In the second Mg site, Mg(2) is bonded in a 1-coordinate geometry to one Hf(1) and one Ir(1) atom. The Mg(2)-Hf(1) bond length is 1.40 Å. The Mg(2)-Ir(1) bond length is 1.60 Å. Hf(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Mg(2) atom. Ir(1) is bonded in a single-bond geometry to one Mg(2) atom.