data_ReIr4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIr4Os
_chemical_formula_sum   'Re1 Ir4 Os1'
_cell_volume   92.63
_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
  Re  Re5  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.69  0.49  0.69  1.0
  Ir  Ir1  1  0.49  0.69  0.69  1.0
  Ir  Ir2  1  0.49  0.49  0.49  1.0
  Ir  Ir3  1  0.69  0.69  0.49  1.0
  Os  Os4  1  0.8  0.8  0.8  1.0

data_ReIr4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReIr4Os
_chemical_formula_sum   'Re3 Ir12 Os3'
_cell_volume   277.9
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Re  Re0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  9  0.14  0.07  0.37  1.0
  Os  Os2  3  0.0  0.0  0.2  1.0
  Ir  Ir3  3  0.0  0.0  0.51  1.0

Re Ir Ir Ir Ir Os
Re Ir Ir Ir Ir Os 0 5 - - - 0 4 - - o 0 1 - o - 0 2 o - - 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 4 5 o o o 
ReOsIr4 crystallizes in the trigonal R3m space group. Re(1) is bonded in a 4-coordinate geometry to one Os(1), three equivalent Ir(1), and three equivalent Ir(2) atoms. The Re(1)-Os(1) bond length is 2.54 Å. All Re(1)-Ir(1) bond lengths are 2.38 Å. All Re(1)-Ir(2) bond lengths are 3.50 Å. Os(1) is bonded in a distorted single-bond geometry to one Re(1) and three equivalent Ir(2) atoms. All Os(1)-Ir(2) bond lengths are 2.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to one Re(1), one Ir(2), and two equivalent Ir(1) atoms. The Ir(1)-Ir(2) bond length is 1.82 Å. Both Ir(1)-Ir(1) bond lengths are 1.05 Å. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Re(1), three equivalent Os(1), and three equivalent Ir(1) atoms.