data_CaCdRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.99
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdRe2
_chemical_formula_sum   'Ca1 Cd1 Re2'
_cell_volume   78.59
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.93  1.0
  Re  Re2  1  0.34  0.49  0.65  1.0
  Re  Re3  1  0.34  0.49  0.21  1.0

data_CaCdRe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.69
_cell_length_b   4.99
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaCdRe2
_chemical_formula_sum   'Ca1 Cd1 Re2'
_cell_volume   78.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.93  1.0
  Re  Re2  1  0.34  0.5  0.21  1.0
  Re  Re3  1  0.34  0.5  0.65  1.0

Ca Cd Re Re
Ca Cd Re Re 0 1 o o - 0 2 o o - 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o o 1 2 o - o 1 3 o o + 1 3 o - + 2 2 + o o 2 3 o o o 2 3 o o + 3 3 + o o 
CaRe2Cd crystallizes in the triclinic P1 space group. Ca(1) is bonded in a single-bond geometry to four equivalent Re(2) and one Cd(1) atom. There are a spread of Ca(1)-Re(2) bond distances ranging from 2.91-3.32 Å. The Ca(1)-Cd(1) bond length is 0.40 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent Re(1), two equivalent Re(2), and four equivalent Cd(1) atoms. Both Re(1)-Re(1) bond lengths are 2.69 Å. There is one shorter (2.60 Å) and one longer (3.27 Å) Re(1)-Re(2) bond length. There are a spread of Re(1)-Cd(1) bond distances ranging from 3.09-3.49 Å. In the second Re site, Re(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Re(1), and two equivalent Re(2) atoms. Both Re(2)-Re(2) bond lengths are 2.69 Å. Cd(1) is bonded in a single-bond geometry to one Ca(1) and four equivalent Re(1) atoms.