data_Mn2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.85
_cell_angle_alpha   104.7
_cell_angle_beta   104.7
_cell_angle_gamma   35.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdAu
_chemical_formula_sum   'Mn2 Cd1 Au1'
_cell_volume   62.26
_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  0.15  0.0  0.13  1.0
  Mn  Mn3  1  0.42  0.0  0.06  1.0
  Cd  Cd1  1  0.4  0.0  0.55  1.0
  Au  Au0  1  0.87  0.0  0.26  1.0

data_Mn2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.82
_cell_length_c   4.85
_cell_angle_alpha   104.7
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdAu
_chemical_formula_sum   'Mn2 Cd1 Au1'
_cell_volume   62.26
_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  Mn0  1  0.0  0.58  0.94  1.0
  Mn  Mn1  1  0.0  0.85  0.87  1.0
  Cd  Cd2  1  0.0  0.6  0.45  1.0
  Au  Au3  1  0.0  0.13  0.74  1.0

Mn Mn Cd Au
Mn Mn Cd Au 0 3 - o o 0 1 o o o 0 2 o o o 1 2 o o o 1 2 o o - 2 3 - o o 
Mn2AuCd crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mn(2), one Au(1), and one Cd(1) atom. The Mn(1)-Mn(2) bond length is 1.42 Å. The Mn(1)-Au(1) bond length is 1.64 Å. The Mn(1)-Cd(1) bond length is 2.06 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one Mn(1), one Au(1), and two equivalent Cd(1) atoms. The Mn(2)-Au(1) bond length is 2.12 Å. There is one shorter (2.40 Å) and one longer (2.46 Å) Mn(2)-Cd(1) bond length. Au(1) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and three equivalent Cd(1) atoms. There are a spread of Au(1)-Cd(1) bond distances ranging from 2.55-3.24 Å. Cd(1) is bonded in a 8-coordinate geometry to one Mn(1), two equivalent Mn(2), three equivalent Au(1), and two equivalent Cd(1) atoms. Both Cd(1)-Cd(1) bond lengths are 2.90 Å.