data_MgIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIr2Os
_chemical_formula_sum   'Mg1 Ir2 Os1'
_cell_volume   60.64
_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  0.63  1.0
  Ir  Ir0  1  0.0  0.0  0.03  1.0
  Ir  Ir1  1  0.4  0.0  0.88  1.0
  Os  Os3  1  0.4  0.0  0.28  1.0

data_MgIr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.74
_cell_length_b   4.81
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIr2Os
_chemical_formula_sum   'Mg2 Ir4 Os2'
_cell_volume   121.31
_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  0.63  1.0
  Ir  Ir1  2  0.0  0.0  0.03  1.0
  Os  Os2  2  0.4  0.0  0.28  1.0
  Ir  Ir3  2  0.4  0.0  0.88  1.0

Mg Ir Ir Os
MgOsIr2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 1-coordinate geometry to two equivalent Os(1) and two equivalent Ir(2) atoms. There is one shorter (3.37 Å) and one longer (3.59 Å) Mg(1)-Os(1) bond length. There is one shorter (2.53 Å) and one longer (2.82 Å) Mg(1)-Ir(2) bond length. Os(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), six equivalent Os(1), and two equivalent Ir(1) atoms. There are four shorter (2.74 Å) and two longer (2.79 Å) Os(1)-Os(1) bond lengths. There is one shorter (2.58 Å) and one longer (2.87 Å) Os(1)-Ir(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to two equivalent Os(1) and two equivalent Ir(2) atoms. There is one shorter (1.77 Å) and one longer (2.16 Å) Ir(1)-Ir(2) bond length. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms.