data_MnIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.3
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Cl
_chemical_formula_sum   'Mn1 Ir2 Cl1'
_cell_volume   62.34
_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
  Mn  Mn3  1  0.0  0.0  0.42  1.0
  Ir  Ir1  1  0.38  0.65  0.1  1.0
  Ir  Ir2  1  0.38  0.65  0.73  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.3
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Cl
_chemical_formula_sum   'Mn1 Ir2 Cl1'
_cell_volume   62.34
_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
  Mn  Mn0  1  0.0  0.0  0.42  1.0
  Ir  Ir1  1  0.38  0.65  0.1  1.0
  Ir  Ir2  1  0.38  0.65  0.73  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mn Ir Ir Cl
MnIr2Cl crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), four equivalent Ir(1), four equivalent Ir(2), and one Cl(1) atom. There are two shorter (2.76 Å) and two longer (3.30 Å) Mn(1)-Mn(1) bond lengths. There are a spread of Mn(1)-Ir(1) bond distances ranging from 2.67-3.50 Å. There are a spread of Mn(1)-Ir(2) bond distances ranging from 2.67-3.50 Å. The Mn(1)-Cl(1) bond length is 2.83 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to four equivalent Mn(1) and one Cl(1) atom. The Ir(1)-Cl(1) bond length is 1.70 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to four equivalent Mn(1) and one Cl(1) atom. The Ir(2)-Cl(1) bond length is 2.41 Å. Cl(1) is bonded in a 1-coordinate geometry to one Mn(1), one Ir(1), and one Ir(2) atom.