data_NaNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ge
_chemical_formula_sum   'Na1 Ni2 Ge1'
_cell_volume   60.36
_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  0.44  0.44  0.31  1.0
  Ni  Ni3  1  0.44  0.44  0.98  1.0
  Ge  Ge0  1  0.0  0.0  0.64  1.0

data_NaNi2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNi2Ge
_chemical_formula_sum   'Na2 Ni4 Ge2'
_cell_volume   120.73
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.44  0.0  0.31  1.0
  Ni  Ni2  2  0.44  0.0  0.98  1.0
  Ge  Ge3  2  0.0  0.0  0.64  1.0

Na Ni Ni Ge
Na Ni Ni Ge 0 2 - o - 0 2 o - - 0 2 o o - 0 2 - - - 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
NaNi2Ge crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 5-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and one Ge(1) atom. There are a spread of Na(1)-Ni(1) bond distances ranging from 2.86-3.20 Å. There are a spread of Na(1)-Ni(2) bond distances ranging from 1.79-2.29 Å. The Na(1)-Ge(1) bond length is 2.59 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), one Ni(2), four equivalent Ni(1), and one Ge(1) atom. The Ni(1)-Ni(2) bond length is 2.37 Å. All Ni(1)-Ni(1) bond lengths are 2.88 Å. The Ni(1)-Ge(1) bond length is 3.04 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to four equivalent 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.