data_NbGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   156.01
_cell_angle_beta   141.77
_cell_angle_gamma   45.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeCl2
_chemical_formula_sum   'Nb1 Ge1 Cl2'
_cell_volume   95.46
_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
  Nb  Nb3  1  0.0  0.0  0.68  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.51  0.0  0.62  1.0
  Cl  Cl1  1  0.0  0.37  0.06  1.0

data_NbGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.75
_cell_length_c   7.25
_cell_angle_alpha   109.11
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeCl2
_chemical_formula_sum   'Nb1 Ge1 Cl2'
_cell_volume   95.46
_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
  Nb  Nb0  1  0.32  0.32  0.32  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.88  0.38  0.88  1.0
  Cl  Cl3  1  0.94  0.32  0.32  1.0

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