data_NaZrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   5.06
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na1 Zr1 Ge2'
_cell_volume   78.94
_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  Na2  1  0.19  0.0  0.95  1.0
  Zr  Zr3  1  0.9  0.53  0.51  1.0
  Ge  Ge0  1  0.52  0.0  0.49  1.0
  Ge  Ge1  1  0.71  0.53  0.9  1.0

data_NaZrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.06
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na1 Zr1 Ge2'
_cell_volume   78.94
_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  0.19  0.0  0.95  1.0
  Zr  Zr1  1  0.9  0.53  0.51  1.0
  Ge  Ge2  1  0.52  0.0  0.49  1.0
  Ge  Ge3  1  0.71  0.53  0.9  1.0

Na Zr Ge Ge
Na Zr Ge Ge 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - - o 0 2 - o o 0 2 o o o 0 2 o o + 0 0 + o o 1 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 2 2 + o o 2 3 o - o 
NaZrGe2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 7-coordinate geometry to three equivalent Ge(1) and four equivalent Ge(2) atoms. There are a spread of Na(1)-Ge(1) bond distances ranging from 2.54-3.08 Å. There are a spread of Na(1)-Ge(2) bond distances ranging from 2.81-3.11 Å. Zr(1) is bonded in a 1-coordinate geometry to one Ge(2) and two equivalent Ge(1) atoms. The Zr(1)-Ge(2) bond length is 2.11 Å. There is one shorter (2.65 Å) and one longer (2.91 Å) Zr(1)-Ge(1) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and two equivalent Zr(1) atoms. In the second Ge site, Ge(2) is bonded in a 1-coordinate geometry to four equivalent Na(1) and one Zr(1) atom.