data_MnCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   16.66
_cell_angle_beta   16.66
_cell_angle_gamma   16.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Re
_chemical_formula_sum   'Mn1 Cd2 Re1'
_cell_volume   69.11
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.33  1.0
  Cd  Cd1  1  0.0  0.0  0.9  1.0
  Re  Re3  1  0.0  0.0  0.61  1.0

data_MnCd2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCd2Re
_chemical_formula_sum   'Mn2 Cd4 Re2'
_cell_volume   138.23
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.1  1.0
  Cd  Cd2  2  0.0  0.0  0.67  1.0
  Re  Re3  2  0.0  0.0  0.39  1.0

Mn Cd Cd Re
ReMnCd2 crystallizes in the monoclinic Cm space group. Re(1) is bonded to six equivalent Re(1), one Cd(1), and one Cd(2) atom to form distorted ReCd2Re6 hexagonal bipyramids that share corners with six equivalent Re(1)Cd2Re6 hexagonal bipyramids, edges with six equivalent Cd(1)MnCd6Re hexagonal bipyramids, and edges with twelve equivalent Re(1)Cd2Re6 hexagonal bipyramids. All Re(1)-Re(1) bond lengths are 2.86 Å. The Re(1)-Cd(1) bond length is 2.83 Å. The Re(1)-Cd(2) bond length is 2.83 Å. Mn(1) is bonded in a single-bond geometry to one Cd(1) and one Cd(2) atom. The Mn(1)-Cd(1) bond length is 3.22 Å. The Mn(1)-Cd(2) bond length is 1.01 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Re(1), one Mn(1), and six equivalent Cd(1) atoms to form distorted CdMnCd6Re hexagonal bipyramids that share corners with six equivalent Cd(1)MnCd6Re hexagonal bipyramids, edges with six equivalent Re(1)Cd2Re6 hexagonal bipyramids, and edges with twelve equivalent Cd(1)MnCd6Re hexagonal bipyramids. All Cd(1)-Cd(1) bond lengths are 2.86 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Re(1) and one Mn(1) atom.