data_Na5GaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   9.27
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   97.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5GaGe2
_chemical_formula_sum   'Na10 Ga2 Ge4'
_cell_volume   427.84
_cell_formula_units_Z   2
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  Na6  1  0.92  0.67  0.06  1.0
  Na  Na7  1  0.92  0.96  0.06  1.0
  Na  Na8  1  0.37  0.35  0.65  1.0
  Na  Na9  1  0.37  0.56  0.65  1.0
  Na  Na10  1  0.27  0.32  0.06  1.0
  Na  Na11  1  0.23  0.95  0.15  1.0
  Na  Na12  1  0.13  0.71  0.56  1.0
  Na  Na13  1  0.13  0.92  0.56  1.0
  Na  Na14  1  0.58  0.31  0.15  1.0
  Na  Na15  1  0.58  0.6  0.15  1.0
  Ga  Ga0  1  0.08  0.32  0.87  1.0
  Ga  Ga1  1  0.42  0.95  0.34  1.0
  Ge  Ge2  1  0.51  0.95  0.44  1.0
  Ge  Ge3  1  0.08  0.32  0.03  1.0
  Ge  Ge4  1  0.42  0.95  0.18  1.0
  Ge  Ge5  1  0.99  0.32  0.77  1.0

data_Na5GaGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.62
_cell_length_b   8.29
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.83
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na5GaGe2
_chemical_formula_sum   'Na10 Ga2 Ge4'
_cell_volume   427.84
_cell_formula_units_Z   2
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  2  0.17  0.45  0.04  1.0
  Na  Na1  2  0.17  0.45  0.33  1.0
  Na  Na2  2  0.38  0.95  0.08  1.0
  Na  Na3  2  0.38  0.95  0.29  1.0
  Na  Na4  2  0.48  0.54  0.32  1.0
  Ga  Ga5  2  0.33  0.27  0.68  1.0
  Ge  Ge6  2  0.24  0.16  0.68  1.0
  Ge  Ge7  2  0.33  0.42  0.68  1.0

Na Na Na Na Na Na Na Na Na Na Ga Ga Ge Ge Ge Ge
Na5GaGe2 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Ge(2) atom. The Na(1)-Na(1) bond length is 2.27 Å. The Na(1)-Na(2) bond length is 2.70 Å. The Na(1)-Ge(2) bond length is 3.42 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), and two equivalent Ge(2) atoms. The Na(2)-Na(5) bond length is 1.82 Å. There is one shorter (3.12 Å) and one longer (3.42 Å) Na(2)-Ge(2) bond length. In the third Na site, Na(3) is bonded to one Na(4), one Ga(1), and two equivalent Ge(1) atoms to form distorted corner-sharing NaNaGaGe2 trigonal pyramids. The Na(3)-Na(4) bond length is 1.97 Å. The Na(3)-Ga(1) bond length is 2.60 Å. There is one shorter (2.46 Å) and one longer (3.51 Å) Na(3)-Ge(1) bond length. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to one Na(3) and one Na(4) atom. The Na(4)-Na(4) bond length is 2.04 Å. In the fifth Na site, Na(5) is bonded in a single-bond geometry to one Na(2) and one Ge(2) atom. The Na(5)-Ge(2) bond length is 1.06 Å. Ga(1) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Ge(1), and one Ge(2) atom. The Ga(1)-Ge(1) bond length is 0.92 Å. The Ga(1)-Ge(2) bond length is 1.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to two equivalent Na(3) and one Ga(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(5), two equivalent Na(2), and one Ga(1) atom.