data_CdFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   16.83
_cell_angle_beta   16.83
_cell_angle_gamma   16.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeRe2
_chemical_formula_sum   'Cd1 Fe1 Re2'
_cell_volume   60.31
_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
  Cd  Cd0  1  0.0  0.0  0.86  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.22  1.0
  Re  Re3  1  0.0  0.0  0.51  1.0

data_CdFeRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.75
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdFeRe2
_chemical_formula_sum   'Cd2 Fe2 Re4'
_cell_volume   120.62
_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
  Cd  Cd0  2  0.0  0.0  0.14  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.0  0.49  1.0
  Re  Re3  2  0.0  0.0  0.78  1.0

Cd Fe Re Re
Cd Fe Re Re 0 1 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Re2FeCd crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Re(2) and one Fe(1) atom. The Re(1)-Re(2) bond length is 2.72 Å. The Re(1)-Fe(1) bond length is 2.04 Å. In the second Re site, Re(2) is bonded to one Re(1), six equivalent Re(2), and one Cd(1) atom to form a mixture of edge and corner-sharing ReCdRe7 hexagonal bipyramids. All Re(2)-Re(2) bond lengths are 2.75 Å. The Re(2)-Cd(1) bond length is 3.33 Å. Fe(1) is bonded in a distorted single-bond geometry to one Re(1) and one Cd(1) atom. The Fe(1)-Cd(1) bond length is 1.29 Å. Cd(1) is bonded in a single-bond geometry to one Re(2) and one Fe(1) atom.