data_Ni4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   15.45
_cell_angle_beta   15.45
_cell_angle_gamma   15.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4Ge
_chemical_formula_sum   'Ni4 Ge1'
_cell_volume   58.35
_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  Ni0  1  0.0  0.0  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.27  1.0
  Ni  Ni2  1  0.0  0.0  0.8  1.0
  Ni  Ni3  1  0.0  0.0  0.46  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0

data_Ni4Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   2.64
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   98.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni4Ge
_chemical_formula_sum   'Ni8 Ge2'
_cell_volume   116.71
_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  2  0.0  0.0  0.2  1.0
  Ni  Ni1  2  0.0  0.0  0.38  1.0
  Ni  Ni2  2  0.0  0.0  0.54  1.0
  Ni  Ni3  2  0.0  0.0  0.73  1.0
  Ge  Ge4  2  0.0  0.0  0.0  1.0

Ni Ni Ni Ni Ge
Ni4Ge crystallizes in the monoclinic Cm space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to one Ni(3) and one Ni(4) atom. The Ni(1)-Ni(3) bond length is 1.84 Å. The Ni(1)-Ni(4) bond length is 1.57 Å. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one Ni(4), six equivalent Ni(2), and one Ge(1) atom. The Ni(2)-Ni(4) bond length is 1.84 Å. All Ni(2)-Ni(2) bond lengths are 2.64 Å. The Ni(2)-Ge(1) bond length is 2.64 Å. In the third Ni site, Ni(3) is bonded in a distorted linear geometry to one Ni(1) and one Ge(1) atom. The Ni(3)-Ge(1) bond length is 1.93 Å. In the fourth Ni site, Ni(4) is bonded in a distorted linear geometry to one Ni(1) and one Ni(2) atom. Ge(1) is bonded in a 1-coordinate geometry to one Ni(2) and one Ni(3) atom.