data_SrMn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Ir
_chemical_formula_sum   'Sr1 Mn2 Ir1'
_cell_volume   72.69
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.61  0.61  0.63  1.0
  Mn  Mn2  1  0.61  0.61  0.41  1.0
  Ir  Ir0  1  0.0  0.0  0.52  1.0

data_SrMn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMn2Ir
_chemical_formula_sum   'Sr2 Mn4 Ir2'
_cell_volume   145.39
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.11  0.5  0.41  1.0
  Mn  Mn2  2  0.11  0.5  0.63  1.0
  Ir  Ir3  2  0.0  0.0  0.52  1.0

Sr Mn Mn Ir
SrMn2Ir crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 14-coordinate geometry to four equivalent Sr(1), four equivalent Mn(1), four equivalent Mn(2), and two equivalent Ir(1) atoms. All Sr(1)-Sr(1) bond lengths are 3.21 Å. There are a spread of Sr(1)-Mn(1) bond distances ranging from 3.17-3.80 Å. There are a spread of Sr(1)-Mn(2) bond distances ranging from 3.40-3.99 Å. There is one shorter (3.38 Å) and one longer (3.65 Å) Sr(1)-Ir(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Mn(2), and three equivalent Ir(1) atoms. The Mn(1)-Mn(2) bond length is 1.53 Å. There is one shorter (1.94 Å) and two longer (2.45 Å) Mn(1)-Ir(1) bond lengths. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Mn(1), and three equivalent Ir(1) atoms. There is one shorter (1.94 Å) and two longer (2.45 Å) Mn(2)-Ir(1) bond lengths. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), three equivalent Mn(1), and three equivalent Mn(2) atoms.