data_Sr2ReIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21
_cell_length_b   10.21
_cell_length_c   10.21
_cell_angle_alpha   17.87
_cell_angle_beta   17.87
_cell_angle_gamma   17.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReIr
_chemical_formula_sum   'Sr2 Re1 Ir1'
_cell_volume   87.45
_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  Sr2  1  0.0  0.0  0.42  1.0
  Sr  Sr3  1  0.0  0.0  0.71  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.06  1.0

data_Sr2ReIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   10.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ReIr
_chemical_formula_sum   'Sr4 Re2 Ir2'
_cell_volume   174.9
_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  0.58  1.0
  Sr  Sr1  2  0.0  0.0  0.29  1.0
  Re  Re2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.94  1.0

Sr Sr Re Ir
Sr2ReIr crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Sr(2), six equivalent Sr(1), and one Ir(1) atom. The Sr(1)-Sr(2) bond length is 3.04 Å. All Sr(1)-Sr(1) bond lengths are 3.17 Å. The Sr(1)-Ir(1) bond length is 3.59 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Re(1) atom. The Sr(2)-Re(1) bond length is 2.93 Å. Re(1) is bonded in a single-bond geometry to one Sr(2) and one Ir(1) atom. The Re(1)-Ir(1) bond length is 0.66 Å. Ir(1) is bonded in a single-bond geometry to one Sr(1) and one Re(1) atom.