data_Ni2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   131.96
_cell_angle_beta   131.96
_cell_angle_gamma   70.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeMo
_chemical_formula_sum   'Ni2 Ge1 Mo1'
_cell_volume   52.09
_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
  Ni  Ni2  1  0.0  0.86  0.87  1.0
  Ni  Ni3  1  0.86  0.0  0.87  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.75  1.0

data_Ni2GeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   125.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2GeMo
_chemical_formula_sum   'Ni4 Ge2 Mo2'
_cell_volume   104.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  4  0.06  0.07  0.99  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.25  0.0  0.25  1.0

Ni Ni Ge Mo
Ni Ni Ge Mo 0 2 o + + 0 3 o + o 1 2 + o + 1 3 + o o 2 3 o o - 
MoNi2Ge is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoNi2Ge clusters. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Ni(1) atoms. Both Mo(1)-Ni(1) bond lengths are 1.10 Å. Ni(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Ge(1) atom. The Ni(1)-Ge(1) bond length is 0.49 Å. Ge(1) is bonded in an L-shaped geometry to two equivalent Ni(1) atoms.