data_Fe2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   17.71
_cell_angle_beta   17.71
_cell_angle_gamma   17.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReOs
_chemical_formula_sum   'Fe2 Re1 Os1'
_cell_volume   51.3
_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
  Fe  Fe0  1  0.0  0.0  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.34  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.69  1.0

data_Fe2ReOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   2.65
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   100.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2ReOs
_chemical_formula_sum   'Fe4 Re2 Os2'
_cell_volume   102.6
_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
  Fe  Fe0  2  -0.0  0.0  0.66  1.0
  Fe  Fe1  2  -0.0  0.0  0.96  1.0
  Re  Re2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  -0.0  0.0  0.31  1.0

Fe Fe Re Os
Fe Fe Re Os 0 2 o o o 0 1 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
ReOsFe2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a single-bond geometry to one Os(1) and one Fe(1) atom. The Re(1)-Os(1) bond length is 2.69 Å. The Re(1)-Fe(1) bond length is 0.32 Å. Os(1) is bonded in a 8-coordinate geometry to one Re(1), six equivalent Os(1), and one Fe(2) atom. All Os(1)-Os(1) bond lengths are 2.65 Å. The Os(1)-Fe(2) bond length is 3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Re(1) and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 2.57 Å. In the second Fe site, Fe(2) is bonded to one Os(1), one Fe(1), and six equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing FeFe7Os hexagonal bipyramids. All Fe(2)-Fe(2) bond lengths are 2.65 Å.