data_NaNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ge
_chemical_formula_sum   'Na1 Ni2 Ge1'
_cell_volume   63.4
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.93  0.0  0.45  1.0
  Ni  Ni3  1  0.93  0.0  0.17  1.0
  Ge  Ge0  1  0.0  0.0  0.81  1.0

data_NaNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ge
_chemical_formula_sum   'Na1 Ni2 Ge1'
_cell_volume   63.4
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.93  0.0  0.17  1.0
  Ni  Ni2  1  0.93  0.0  0.45  1.0
  Ge  Ge3  1  0.0  0.0  0.81  1.0

Na Ni Ni Ge
Na Ni Ni Ge 0 2 - o o 0 3 o o - 1 1 o + o 1 1 + o o 1 2 o o o 1 3 + o o 
NaNi2Ge crystallizes in the triclinic P1 space group. Na(1) is bonded in a linear geometry to one Ni(2) and one Ge(1) atom. The Na(1)-Ni(2) bond length is 1.28 Å. The Na(1)-Ge(1) bond length is 1.45 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ni(2), four equivalent Ni(1), and one Ge(1) atom to form a mixture of edge and corner-sharing NiNi5Ge octahedra. The corner-sharing octahedra are not tilted. The Ni(1)-Ni(2) bond length is 2.20 Å. All Ni(1)-Ni(1) bond lengths are 2.89 Å. The Ni(1)-Ge(1) bond length is 2.72 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Na(1) and one Ni(1) atom. Ge(1) is bonded in a single-bond geometry to one Na(1) and one Ni(1) atom.