data_Cd2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReMo
_chemical_formula_sum   'Cd2 Re1 Mo1'
_cell_volume   70.04
_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  0.27  0.27  0.27  1.0
  Cd  Cd1  1  0.64  0.64  0.64  1.0
  Re  Re3  1  0.91  0.91  0.91  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Cd2ReMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2ReMo
_chemical_formula_sum   'Cd6 Re3 Mo3'
_cell_volume   210.13
_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
  Cd  Cd0  3  0.0  0.0  0.36  1.0
  Cd  Cd1  3  0.0  0.0  0.73  1.0
  Re  Re2  3  0.0  0.0  0.09  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

Cd Cd Re Mo
Cd Cd Re Mo 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o + + 1 3 + o + 1 3 + + o 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 2 3 + + + 
MoReCd2 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a single-bond geometry to one Re(1), three equivalent Cd(2), and four equivalent Cd(1) atoms. The Mo(1)-Re(1) bond length is 1.05 Å. All Mo(1)-Cd(2) bond lengths are 2.69 Å. There are three shorter (2.76 Å) and one longer (3.08 Å) Mo(1)-Cd(1) bond length. Re(1) is bonded in a single-bond geometry to one Mo(1), three equivalent Cd(1), and four equivalent Cd(2) atoms. All Re(1)-Cd(1) bond lengths are 2.69 Å. There are three shorter (2.76 Å) and one longer (3.08 Å) Re(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1), three equivalent Re(1), and three equivalent Cd(2) atoms. All Cd(1)-Cd(2) bond lengths are 2.69 Å. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to three equivalent Mo(1), four equivalent Re(1), and three equivalent Cd(1) atoms.