data_MgAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgIr2
_chemical_formula_sum   'Mg1 Ag1 Ir2'
_cell_volume   62.82
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ir  Ir1  1  0.58  0.58  0.85  1.0
  Ir  Ir2  1  0.58  0.58  0.44  1.0

data_MgAgIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAgIr2
_chemical_formula_sum   'Mg2 Ag2 Ir4'
_cell_volume   125.63
_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  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.14  1.0
  Ir  Ir2  2  0.08  0.5  0.44  1.0
  Ir  Ir3  2  0.08  0.5  0.85  1.0

Mg Ag Ir Ir
Mg Ag Ir Ir 0 1 o o o 0 2 o o - 0 2 o - - 0 2 - o - 0 2 - - - 0 3 - - o 1 2 - - - 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 3 o o o 3 3 + o o 3 3 o + o 
MgIr2Ag crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted single-bond geometry to four equivalent Ir(1) and one Ag(1) atom. There are a spread of Mg(1)-Ir(1) bond distances ranging from 2.10-2.76 Å. The Mg(1)-Ag(1) bond length is 0.90 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 2.59 Å. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Ir(1), four equivalent Ir(2), and four equivalent Ag(1) atoms. All Ir(2)-Ir(2) bond lengths are 3.16 Å. There are a spread of Ir(2)-Ag(1) bond distances ranging from 2.63-3.18 Å. Ag(1) is bonded in a single-bond geometry to one Mg(1) and four equivalent Ir(2) atoms.