data_ZnNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   139.98
_cell_angle_beta   133.63
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiMo2
_chemical_formula_sum   'Zn1 Ni1 Mo2'
_cell_volume   56.52
_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
  Zn  Zn3  1  0.0  0.0  0.24  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.7  0.0  0.11  1.0
  Mo  Mo1  1  0.0  0.96  0.14  1.0

data_ZnNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.92
_cell_length_c   4.97
_cell_angle_alpha   113.19
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiMo2
_chemical_formula_sum   'Zn1 Ni1 Mo2'
_cell_volume   56.52
_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
  Zn  Zn0  1  0.0  0.24  0.24  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.11  0.41  1.0
  Mo  Mo3  1  0.04  0.18  0.18  1.0

Zn Ni Mo Mo
Zn Ni Mo Mo 0 3 o - o 0 2 - o o 1 3 o - o 2 3 + - o 
Mo2NiZn is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2NiZn cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Zn(1) atom. The Mo(1)-Zn(1) bond length is 1.13 Å. In the second Mo site, Mo(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one Zn(1) atom. The Mo(2)-Ni(1) bond length is 0.84 Å. The Mo(2)-Zn(1) bond length is 0.40 Å. Ni(1) is bonded in a single-bond geometry to one Mo(2) atom. Zn(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom.