data_Mn2TlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   122.6
_cell_angle_beta   122.6
_cell_angle_gamma   85.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlIr
_chemical_formula_sum   'Mn2 Tl1 Ir1'
_cell_volume   65.96
_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  Mn1  1  0.21  0.0  0.69  1.0
  Mn  Mn2  1  0.0  0.21  0.69  1.0
  Tl  Tl3  1  0.0  0.0  0.38  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_Mn2TlIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   132.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2TlIr
_chemical_formula_sum   'Mn4 Tl2 Ir2'
_cell_volume   131.93
_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
  Mn  Mn0  4  0.4  0.4  0.48  1.0
  Tl  Tl1  2  0.0  0.0  0.38  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

Mn Mn Tl Ir
Mn2IrTl crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Ir(1), and one Tl(1) atom. The Mn(1)-Mn(1) bond length is 1.31 Å. There is one shorter (2.11 Å) and one longer (3.11 Å) Mn(1)-Ir(1) bond length. The Mn(1)-Tl(1) bond length is 1.22 Å. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1) and one Tl(1) atom. The Ir(1)-Tl(1) bond length is 1.74 Å. Tl(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Ir(1) atom.