data_NaNbGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbGe2
_chemical_formula_sum   'Na1 Nb1 Ge2'
_cell_volume   78.77
_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  0.0  0.0  0.73  1.0
  Nb  Nb3  1  0.43  0.43  0.51  1.0
  Ge  Ge0  1  0.0  0.0  0.51  1.0
  Ge  Ge1  1  0.43  0.43  0.24  1.0

data_NaNbGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNbGe2
_chemical_formula_sum   'Na2 Nb2 Ge4'
_cell_volume   157.55
_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  0.73  1.0
  Nb  Nb1  2  0.43  0.0  0.51  1.0
  Ge  Ge2  2  0.0  0.0  0.51  1.0
  Ge  Ge3  2  0.43  0.0  0.24  1.0

Na Nb Ge Ge
Na Nb Ge Ge 0 2 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 3 o o o 2 3 o o o 2 3 o - o 2 3 - o o 3 3 + o o 3 3 o + o 