data_Cr2CdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdCu
_chemical_formula_sum   'Cr2 Cd1 Cu1'
_cell_volume   56.78
_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
  Cr  Cr1  1  0.0  0.0  0.4  1.0
  Cr  Cr2  1  0.48  0.48  0.44  1.0
  Cd  Cd0  1  0.48  0.48  0.84  1.0
  Cu  Cu3  1  0.0  0.0  0.04  1.0

data_Cr2CdCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CdCu
_chemical_formula_sum   'Cr4 Cd2 Cu2'
_cell_volume   113.56
_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
  Cr  Cr0  2  0.0  0.0  0.4  1.0
  Cr  Cr1  2  0.48  0.0  0.44  1.0
  Cd  Cd2  2  0.48  0.0  0.84  1.0
  Cu  Cu3  2  0.0  0.0  0.04  1.0

Cr Cr Cd Cu
Cr2CuCd is Millerite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Cr(2) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing CrCr4Cu square pyramids. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.03-2.19 Å. The Cr(1)-Cu(1) bond length is 2.37 Å. In the second Cr site, Cr(2) is bonded to four equivalent Cr(1) and one Cd(1) atom to form a mixture of edge and corner-sharing CrCr4Cd square pyramids. The Cr(2)-Cd(1) bond length is 2.56 Å. Cu(1) is bonded in a 5-coordinate geometry to one Cr(1) and four equivalent Cd(1) atoms. There are a spread of Cu(1)-Cd(1) bond distances ranging from 2.39-2.53 Å. Cd(1) is bonded in a 5-coordinate geometry to one Cr(2) and four equivalent Cu(1) atoms.