data_Mn2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AgIr
_chemical_formula_sum   'Mn2 Ag1 Ir1'
_cell_volume   62.23
_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  Mn2  1  0.48  0.48  0.2  1.0
  Mn  Mn3  1  0.48  0.48  0.95  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.57  1.0

data_Mn2AgIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AgIr
_chemical_formula_sum   'Mn4 Ag2 Ir2'
_cell_volume   124.47
_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  2  0.48  0.0  0.2  1.0
  Mn  Mn1  2  0.48  0.0  0.95  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.57  1.0

Mn Mn Ag Ir
Mn Mn Ag Ir 0 1 o o - 0 2 + o o 0 2 o + o 0 2 o o o 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 o o + 1 2 o + + 1 2 + o + 1 2 + + + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o - 3 3 + o o 3 3 o + o 
Mn2IrAg crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 13-coordinate geometry to one Mn(2), four equivalent Mn(1), four equivalent Ir(1), and four equivalent Ag(1) atoms. The Mn(1)-Mn(2) bond length is 1.77 Å. All Mn(1)-Mn(1) bond lengths are 2.95 Å. There are a spread of Mn(1)-Ir(1) bond distances ranging from 3.34-3.47 Å. There are a spread of Mn(1)-Ag(1) bond distances ranging from 2.44-2.61 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one Mn(1), four equivalent Ir(1), and four equivalent Ag(1) atoms. There are a spread of Mn(2)-Ir(1) bond distances ranging from 3.34-3.47 Å. There are a spread of Mn(2)-Ag(1) bond distances ranging from 2.02-2.22 Å. Ir(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), four equivalent Ir(1), and one Ag(1) atom. All Ir(1)-Ir(1) bond lengths are 2.95 Å. The Ir(1)-Ag(1) bond length is 3.05 Å. Ag(1) is bonded in a 4-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and one Ir(1) atom.