data_NaCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Ge
_chemical_formula_sum   'Na1 Co2 Ge1'
_cell_volume   58.72
_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  Na3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.96  0.0  0.32  1.0
  Co  Co1  1  0.96  0.0  0.11  1.0
  Ge  Ge2  1  0.0  0.0  0.72  1.0

data_NaCo2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaCo2Ge
_chemical_formula_sum   'Na1 Co2 Ge1'
_cell_volume   58.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co1  1  0.96  0.0  0.11  1.0
  Co  Co2  1  0.96  0.0  0.32  1.0
  Ge  Ge3  1  0.0  0.0  0.72  1.0

Na Co Co Ge
Na Co Co Ge 0 2 - o o 0 3 o o - 1 2 o o o 
NaCo2Ge crystallizes in the monoclinic Pm space group. Na(1) is bonded in a distorted single-bond geometry to one Co(2) and one Ge(1) atom. The Na(1)-Co(2) bond length is 0.83 Å. The Na(1)-Ge(1) bond length is 2.11 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Co(2), four equivalent Co(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing CoCo5Ge octahedra. The corner-sharing octahedra are not tilted. The Co(1)-Co(2) bond length is 1.56 Å. All Co(1)-Co(1) bond lengths are 2.81 Å. The Co(1)-Ge(1) bond length is 2.94 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Na(1) and one Co(1) atom. Ge(1) is bonded in a single-bond geometry to one Na(1) and one Co(1) atom.