data_NbGe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   21.7
_cell_angle_beta   21.7
_cell_angle_gamma   21.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Cl
_chemical_formula_sum   'Nb1 Ge2 Cl1'
_cell_volume   74.54
_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  0.5  1.0
  Ge  Ge1  1  0.0  0.0  0.16  1.0
  Ge  Ge2  1  0.0  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NbGe2Cl
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.57
_cell_length_b   3.21
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   NbGe2Cl
_chemical_formula_sum   'Nb2 Ge4 Cl2'
_cell_volume   149.07
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Nb  Nb0  2  0.0  0.0  0.5  1.0
  Ge  Ge1  4  0.0  0.0  0.16  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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