data_CaMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.51
_cell_angle_alpha   101.5
_cell_angle_beta   101.5
_cell_angle_gamma   38.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCd2
_chemical_formula_sum   'Ca1 Mn1 Cd2'
_cell_volume   92.76
_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  0.18  0.0  0.34  1.0
  Mn  Mn3  1  0.44  0.0  0.94  1.0
  Cd  Cd1  1  0.75  0.0  0.24  1.0
  Cd  Cd2  1  0.6  0.0  0.93  1.0

data_CaMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.27
_cell_length_c   5.51
_cell_angle_alpha   101.5
_cell_angle_beta   90.0
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCd2
_chemical_formula_sum   'Ca1 Mn1 Cd2'
_cell_volume   92.76
_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  0.82  0.66  1.0
  Mn  Mn1  1  0.0  0.56  0.06  1.0
  Cd  Cd2  1  0.0  0.25  0.76  1.0
  Cd  Cd3  1  0.0  0.4  0.07  1.0

Ca Mn Cd Cd
Ca Mn Cd Cd 0 2 - o o 1 3 o o o 1 2 o o + 2 3 o o - 
CdCaCdMn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CdCa cluster and one CdMn cluster. In the CdCa cluster, Ca(1) is bonded in a 1-coordinate geometry to one Cd(1) atom. The Ca(1)-Cd(1) bond length is 2.23 Å. Cd(1) is bonded in a 1-coordinate geometry to one Ca(1) atom. In the CdMn cluster, Mn(1) is bonded in a single-bond geometry to one Cd(2) atom. The Mn(1)-Cd(2) bond length is 0.87 Å. Cd(2) is bonded in a single-bond geometry to one Mn(1) atom.