data_Mg2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.16
_cell_angle_alpha   97.17
_cell_angle_beta   97.17
_cell_angle_gamma   35.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIr
_chemical_formula_sum   'Mg2 V1 Ir1'
_cell_volume   64.71
_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  0.14  0.0  0.09  1.0
  Mg  Mg2  1  0.51  0.0  0.28  1.0
  V  V3  1  0.15  0.0  0.74  1.0
  Ir  Ir0  1  0.74  0.0  0.67  1.0

data_Mg2VIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.67
_cell_length_c   5.16
_cell_angle_alpha   97.17
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VIr
_chemical_formula_sum   'Mg2 V1 Ir1'
_cell_volume   64.71
_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  0.49  0.72  1.0
  Mg  Mg1  1  0.0  0.86  0.91  1.0
  V  V2  1  0.0  0.85  0.26  1.0
  Ir  Ir3  1  0.0  0.26  0.33  1.0

Mg Mg V Ir
Mg2VIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2VIr cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one V(1) atom. The Mg(1)-V(1) bond length is 1.81 Å. In the second Mg site, Mg(2) is bonded in a 1-coordinate geometry to one Ir(1) atom. The Mg(2)-Ir(1) bond length is 2.18 Å. V(1) is bonded in a distorted L-shaped geometry to one Mg(1) and one Ir(1) atom. The V(1)-Ir(1) bond length is 1.87 Å. Ir(1) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one V(1) atom.