data_Zr2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   147.61
_cell_angle_beta   130.97
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCd
_chemical_formula_sum   'Zr2 Mn1 Cd1'
_cell_volume   77.64
_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
  Zr  Zr2  1  0.61  0.0  0.58  1.0
  Zr  Zr3  1  0.0  0.0  0.51  1.0
  Mn  Mn1  1  0.0  0.0  0.59  1.0
  Cd  Cd0  1  0.61  0.0  0.36  1.0

data_Zr2MnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.8
_cell_length_c   5.79
_cell_angle_alpha   114.51
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCd
_chemical_formula_sum   'Zr2 Mn1 Cd1'
_cell_volume   77.64
_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
  Zr  Zr0  1  0.03  0.42  0.03  1.0
  Zr  Zr1  1  0.49  0.49  0.49  1.0
  Mn  Mn2  1  0.41  0.41  0.41  1.0
  Cd  Cd3  1  0.25  0.64  0.25  1.0

Zr Zr Mn Cd
ZrMnZrCd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrCd cluster and one ZrMn cluster. In the ZrCd cluster, Zr(1) is bonded in a single-bond geometry to one Cd(1) atom. The Zr(1)-Cd(1) bond length is 1.28 Å. Cd(1) is bonded in a 1-coordinate geometry to one Zr(1) atom. In the ZrMn cluster, Zr(2) is bonded in a single-bond geometry to one Mn(1) atom. The Zr(2)-Mn(1) bond length is 0.45 Å. Mn(1) is bonded in a single-bond geometry to one Zr(2) atom.