data_GeH6C(NCl)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72
_cell_length_b   7.64
_cell_length_c   16.67
_cell_angle_alpha   90.0
_cell_angle_beta   120.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeH6C(NCl)3
_chemical_formula_sum   'Ge4 H24 C4 N12 Cl12'
_cell_volume   955.54
_cell_formula_units_Z   4
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  Ge12  1  0.87  0.85  0.83  1.0
  Ge  Ge13  1  0.36  0.79  0.51  1.0
  Ge  Ge14  1  0.12  0.67  0.68  1.0
  Ge  Ge15  1  0.11  0.97  0.66  1.0
  H  H32  1  0.03  0.13  0.71  1.0
  H  H33  1  0.2  0.51  0.63  1.0
  H  H34  1  0.95  0.95  0.8  1.0
  H  H35  1  0.28  0.69  0.54  1.0
  H  H36  1  0.76  0.76  0.32  1.0
  H  H37  1  0.47  0.88  0.02  1.0
  H  H38  1  0.23  0.58  0.19  1.0
  H  H39  1  0.0  0.06  0.15  1.0
  H  H40  1  0.24  0.98  0.95  1.0
  H  H41  1  0.99  0.66  0.39  1.0
  H  H42  1  0.75  0.8  0.56  1.0
  H  H43  1  0.48  0.84  0.78  1.0
  H  H44  1  0.09  0.35  0.65  1.0
  H  H45  1  0.14  0.29  0.69  1.0
  H  H46  1  0.39  0.17  0.52  1.0
  H  H47  1  0.84  0.47  0.82  1.0
  H  H48  1  0.6  0.09  0.82  1.0
  H  H49  1  0.63  0.55  0.52  1.0
  H  H50  1  0.38  0.91  0.69  1.0
  H  H51  1  0.85  0.73  0.65  1.0
  H  H52  1  0.23  0.66  0.33  1.0
  H  H53  1  0.0  0.98  0.01  1.0
  H  H54  1  0.76  0.48  0.18  1.0
  H  H55  1  0.47  0.16  0.16  1.0
  C  C16  1  0.07  0.46  0.2  1.0
  C  C17  1  0.16  0.18  0.14  1.0
  C  C18  1  0.91  0.28  0.31  1.0
  C  C19  1  0.32  0.36  0.03  1.0
  N  N20  1  0.39  0.43  0.43  1.0
  N  N21  1  0.84  0.21  0.91  1.0
  N  N22  1  0.6  0.25  0.08  1.0
  N  N23  1  0.63  0.39  0.26  1.0
  N  N24  1  0.24  0.97  0.12  1.0
  N  N25  1  0.99  0.67  0.22  1.0
  N  N26  1  0.74  0.79  0.39  1.0
  N  N27  1  0.49  0.85  0.95  1.0
  N  N28  1  0.58  0.97  0.06  1.0
  N  N29  1  0.65  0.68  0.28  1.0
  N  N30  1  0.4  0.79  0.45  1.0
  N  N31  1  0.83  0.85  0.89  1.0
  Cl  Cl0  1  0.27  0.41  0.46  1.0
  Cl  Cl1  1  0.96  0.23  0.89  1.0
  Cl  Cl2  1  0.72  0.23  0.06  1.0
  Cl  Cl3  1  0.51  0.41  0.28  1.0
  Cl  Cl4  1  0.84  0.37  0.69  1.0
  Cl  Cl5  1  0.39  0.27  0.65  1.0
  Cl  Cl6  1  0.15  0.55  0.82  1.0
  Cl  Cl7  1  0.08  0.09  0.52  1.0
  Cl  Cl8  1  0.33  0.55  0.13  1.0
  Cl  Cl9  1  0.9  0.09  0.21  1.0
  Cl  Cl10  1  0.65  0.37  0.38  1.0
  Cl  Cl11  1  0.58  0.27  0.96  1.0

data_GeH6C(NCl)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.64
_cell_length_b   8.72
_cell_length_c   14.34
_cell_angle_alpha   90.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GeH6C(NCl)3
_chemical_formula_sum   'Ge4 H24 C4 N12 Cl12'
_cell_volume   955.54
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ge0  2  0.35  0.5  0.51  1.0
  Ge  Ge1  2  0.47  0.09  0.34  1.0
  H  H2  2  0.03  0.51  0.48  1.0
  H  H3  2  0.15  0.92  0.65  1.0
  H  H4  2  0.16  0.36  0.01  1.0
  H  H5  2  0.19  0.38  0.46  1.0
  H  H6  2  0.23  0.84  0.35  1.0
  H  H7  2  0.26  0.91  0.02  1.0
  H  H8  2  0.34  0.05  0.16  1.0
  H  H9  2  0.34  0.34  0.22  1.0
  H  H10  2  0.37  0.21  0.37  1.0
  H  H11  2  0.41  0.75  0.48  1.0
  H  H12  2  0.44  0.51  0.15  1.0
  H  H13  2  0.48  0.76  0.39  1.0
  C  C14  2  0.04  0.66  0.86  1.0
  C  C15  2  0.14  0.08  0.03  1.0
  N  N16  2  0.07  0.58  0.09  1.0
  N  N17  2  0.11  0.99  0.26  1.0
  N  N18  2  0.35  0.18  0.05  1.0
  N  N19  2  0.35  0.58  0.11  1.0
  N  N20  2  0.47  0.99  0.28  1.0
  N  N21  2  0.47  0.59  0.22  1.0
  Cl  Cl22  2  0.05  0.79  0.52  1.0
  Cl  Cl23  2  0.05  0.67  0.21  1.0
  Cl  Cl24  2  0.09  0.72  0.11  1.0
  Cl  Cl25  2  0.09  0.13  0.28  1.0
  Cl  Cl26  2  0.23  0.62  0.65  1.0
  Cl  Cl27  2  0.23  0.74  0.96  1.0

Ge Ge Ge Ge H H H H H H H H H H H H H H H H H H H H H H H H C C C C N N N N N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Ge Ge Ge Ge H H H H H H H H H H H H H H H H H H H H H H H H C C C C N N N N N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 43 o o o 0 6 o o o 1 7 o o o 1 42 o o o 2 5 o o o 2 50 o o o 3 4 o + o 3 51 o + o 4 17 o o o 4 48 - o o 5 16 o o o 5 49 o o o 8 41 o o o 8 38 o o o 8 13 o o o 9 39 o o - 9 40 o o o 9 12 o o - 10 28 o o o 10 52 o o o 10 24 o o o 11 53 - o o 11 29 o o o 11 25 o - o 14 23 o o o 14 21 o o o 15 22 o o o 15 20 o + o 16 17 o o o 16 48 - o o 16 49 o o o 16 50 o o o 16 51 o o o 17 48 - o o 17 49 o o o 17 50 o o o 17 51 o o o 18 44 o o o 18 32 o o o 18 49 o o o 18 51 o o o 19 48 o o o 19 33 o o o 19 45 o o o 19 50 + o o 20 22 o - o 20 43 o - o 20 33 o o o 20 49 o o o 21 32 o o o 21 42 o o o 21 23 o o o 21 48 o o o 22 49 o + o 22 51 o + o 23 48 o o o 23 50 + o o 24 28 o o o 24 37 - o o 24 32 o o o 24 42 o o o 25 43 - o - 25 33 - + - 25 36 o o o 25 29 o + o 26 46 o o o 26 34 o o o 26 35 o o o 26 41 o o o 26 28 + o o 26 30 o o o 26 37 o o o 27 36 o - o 27 31 o o o 27 29 o o o 27 40 o - o 27 34 o o o 27 47 o o o 27 35 o o o 28 37 - o o 29 36 o - o 30 53 o o o 30 35 o o o 30 51 + o o 31 34 o o o 31 52 o o o 31 50 o o - 32 44 o o o 33 45 o o o 34 46 o o o 35 47 o o o 44 51 o o o 45 50 + o o 46 55 o o - 47 54 o o o 48 50 + o o 49 51 o o o 