data_Ge2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Cl
_chemical_formula_sum   'Ge16 Cl8'
_cell_volume   571.66
_cell_formula_units_Z   8
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
  Ge  Ge8  1  0.94  0.65  0.94  1.0
  Ge  Ge9  1  0.65  0.65  0.65  1.0
  Ge  Ge10  1  0.65  0.94  0.94  1.0
  Ge  Ge11  1  0.94  0.94  0.65  1.0
  Ge  Ge12  1  0.88  0.81  0.88  1.0
  Ge  Ge13  1  0.88  0.88  0.95  1.0
  Ge  Ge14  1  0.81  0.88  0.88  1.0
  Ge  Ge15  1  0.95  0.88  0.88  1.0
  Ge  Ge16  1  0.88  0.88  0.81  1.0
  Ge  Ge17  1  0.88  0.95  0.88  1.0
  Ge  Ge18  1  0.59  0.66  0.59  1.0
  Ge  Ge19  1  0.59  0.59  0.52  1.0
  Ge  Ge20  1  0.66  0.59  0.59  1.0
  Ge  Ge21  1  0.52  0.59  0.59  1.0
  Ge  Ge22  1  0.59  0.59  0.66  1.0
  Ge  Ge23  1  0.59  0.52  0.59  1.0
  Cl  Cl0  1  0.76  0.76  0.42  1.0
  Cl  Cl1  1  0.42  0.76  0.76  1.0
  Cl  Cl2  1  0.42  0.42  0.42  1.0
  Cl  Cl3  1  0.76  0.42  0.76  1.0
  Cl  Cl4  1  0.71  0.71  0.05  1.0
  Cl  Cl5  1  0.05  0.71  0.71  1.0
  Cl  Cl6  1  0.05  0.05  0.05  1.0
  Cl  Cl7  1  0.71  0.05  0.71  1.0

data_Ge2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   22.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge2Cl
_chemical_formula_sum   'Ge48 Cl24'
_cell_volume   1714.98
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ge  Ge0  9  0.02  0.05  0.1  1.0
  Ge  Ge1  9  0.02  0.05  0.39  1.0
  Ge  Ge2  9  0.05  0.02  0.44  1.0
  Ge  Ge3  9  0.05  0.02  0.14  1.0
  Ge  Ge4  9  0.2  0.1  0.16  1.0
  Ge  Ge5  3  0.0  0.0  0.35  1.0
  Cl  Cl6  9  0.11  0.55  0.84  1.0
  Cl  Cl7  9  0.22  0.44  0.02  1.0
  Cl  Cl8  3  0.0  0.0  0.58  1.0
  Cl  Cl9  3  0.0  0.0  0.95  1.0

Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Cl Cl Cl Cl Cl Cl Cl Cl