data_CaZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Mo
_chemical_formula_sum   'Ca1 Zn2 Mo1'
_cell_volume   70.58
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.6  0.12  0.47  1.0
  Zn  Zn3  1  0.6  0.88  0.47  1.0
  Mo  Mo1  1  0.21  0.0  0.0  1.0

data_CaZn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   98.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Mo
_chemical_formula_sum   'Ca1 Zn2 Mo1'
_cell_volume   70.58
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.47  0.6  0.12  1.0
  Zn  Zn2  1  0.47  0.6  0.88  1.0
  Mo  Mo3  1  0.0  0.21  0.0  1.0

Ca Zn Zn Mo
CaMo(Zn)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaMo cluster and one Zn cluster. In the CaMo cluster, Ca(1) is bonded in a single-bond geometry to one Mo(1) atom. The Ca(1)-Mo(1) bond length is 1.02 Å. Mo(1) is bonded in a single-bond geometry to one Ca(1) atom. In the Zn cluster, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.22 Å. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Zn(1) atom.