data_MgIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIr2Rh
_chemical_formula_sum   'Mg1 Ir2 Rh1'
_cell_volume   60.33
_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  0.0  1.0
  Ir  Ir0  1  0.4  0.0  0.88  1.0
  Ir  Ir1  1  0.4  0.0  0.26  1.0
  Rh  Rh3  1  0.0  0.0  0.57  1.0

data_MgIr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.74
_cell_length_b   4.82
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIr2Rh
_chemical_formula_sum   'Mg2 Ir4 Rh2'
_cell_volume   120.7
_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
  Ir  Ir1  2  0.4  0.0  0.26  1.0
  Ir  Ir2  2  0.4  0.0  0.88  1.0
  Rh  Rh3  2  0.0  0.0  0.57  1.0

Mg Ir Ir Rh
Mg Ir Ir Rh 0 1 o o - 0 2 o o o 0 2 - o o 1 3 + o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
MgIr2Rh crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one Ir(2) and two equivalent Ir(1) atoms. The Mg(1)-Ir(2) bond length is 2.62 Å. There is one shorter (1.56 Å) and one longer (1.99 Å) Mg(1)-Ir(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and two equivalent Rh(1) atoms. There is one shorter (3.03 Å) and one longer (3.27 Å) Ir(1)-Rh(1) bond length. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Mg(1) and two equivalent Rh(1) atoms. There is one shorter (3.03 Å) and one longer (3.27 Å) Ir(2)-Rh(1) bond length. Rh(1) is bonded in a 10-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), and six equivalent Rh(1) atoms. There are four shorter (2.74 Å) and two longer (2.80 Å) Rh(1)-Rh(1) bond lengths.