data_MnGe4H24C8(S5N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   10.0
_cell_angle_alpha   122.01
_cell_angle_beta   122.01
_cell_angle_gamma   86.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe4H24C8(S5N)2
_chemical_formula_sum   'Mn1 Ge4 H24 C8 S10 N2'
_cell_volume   684.25
_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
  Mn  Mn0  1  0.0  0.0  0.28  1.0
  Ge  Ge1  1  0.15  0.33  0.63  1.0
  Ge  Ge2  1  0.69  0.51  0.35  1.0
  Ge  Ge3  1  0.67  0.15  0.93  1.0
  Ge  Ge4  1  0.18  0.69  0.65  1.0
  H  H5  1  0.57  0.24  0.48  1.0
  H  H6  1  0.43  0.45  0.48  1.0
  H  H7  1  0.61  0.42  0.8  1.0
  H  H8  1  0.39  0.27  0.8  1.0
  H  H9  1  0.15  0.6  0.5  1.0
  H  H10  1  0.7  0.25  0.22  1.0
  H  H11  1  0.25  1.0  0.78  1.0
  H  H12  1  0.6  0.85  0.06  1.0
  H  H13  1  0.23  0.01  0.5  1.0
  H  H14  1  0.46  0.99  0.5  1.0
  H  H15  1  0.84  0.38  0.79  1.0
  H  H16  1  0.86  0.62  0.79  1.0
  H  H17  1  0.21  0.5  0.12  1.0
  H  H18  1  0.48  0.5  0.12  1.0
  H  H19  1  0.35  0.37  0.16  1.0
  H  H20  1  0.35  0.63  0.16  1.0
  H  H21  1  0.72  0.77  0.16  1.0
  H  H22  1  0.98  0.23  0.16  1.0
  H  H23  1  0.08  0.87  0.12  1.0
  H  H24  1  0.62  0.13  0.12  1.0
  H  H25  1  0.86  0.39  0.4  1.0
  H  H26  1  0.83  0.61  0.4  1.0
  H  H27  1  0.46  0.01  0.88  1.0
  H  H28  1  0.24  0.99  0.88  1.0
  C  C29  1  0.87  0.11  0.14  1.0
  C  C30  1  0.98  0.73  0.86  1.0
  C  C31  1  0.73  0.72  0.14  1.0
  C  C32  1  0.11  0.13  0.42  1.0
  C  C33  1  0.0  0.64  0.76  1.0
  C  C34  1  0.69  0.36  0.76  1.0
  C  C35  1  0.21  0.16  0.52  1.0
  C  C36  1  0.48  0.84  0.52  1.0
  S  S37  1  0.53  0.48  0.43  1.0
  S  S38  1  0.32  0.36  0.15  1.0
  S  S39  1  0.52  0.53  0.13  1.0
  S  S40  1  0.33  0.32  0.85  1.0
  S  S41  1  0.93  0.44  0.68  1.0
  S  S42  1  0.92  0.4  0.4  1.0
  S  S43  1  0.4  0.77  0.6  1.0
  S  S44  1  0.44  0.07  0.88  1.0
  S  S45  1  0.0  0.85  0.0  1.0
  S  S46  1  0.0  0.85  0.28  1.0
  N  N47  1  0.0  0.0  0.0  1.0
  N  N48  1  0.85  0.0  0.64  1.0

data_MnGe4H24C8(S5N)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   10.0
_cell_angle_alpha   118.99
_cell_angle_beta   118.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe4H24C8(S5N)2
_chemical_formula_sum   'Mn1 Ge4 H24 C8 S10 N2'
_cell_volume   684.25
_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
  Mn  Mn0  1  0.72  0.0  0.72  1.0
  Ge  Ge1  1  0.05  0.69  0.23  1.0
  Ge  Ge2  1  0.16  0.51  0.86  1.0
  Ge  Ge3  1  0.22  0.15  0.89  1.0
  Ge  Ge4  1  0.7  0.33  0.85  1.0
  H  H5  1  0.01  0.13  0.62  1.0
  H  H6  1  0.03  0.25  0.73  1.0
  H  H7  1  0.07  0.23  0.05  1.0
  H  H8  1  0.1  0.6  0.25  1.0
  H  H9  1  0.11  0.99  0.34  1.0
  H  H10  1  0.13  0.01  0.59  1.0
  H  H11  1  0.21  0.37  0.55  1.0
  H  H12  1  0.21  0.61  0.04  1.0
  H  H13  1  0.21  1.0  0.46  1.0
  H  H14  1  0.38  0.5  0.86  1.0
  H  H15  1  0.38  0.5  0.59  1.0
  H  H16  1  0.47  0.27  0.87  1.0
  H  H17  1  0.48  0.63  0.82  1.0
  H  H18  1  0.49  0.99  0.96  1.0
  H  H19  1  0.52  0.01  0.75  1.0
  H  H20  1  0.6  0.38  0.43  1.0
  H  H21  1  0.61  0.77  0.33  1.0
  H  H22  1  0.62  0.42  0.22  1.0
  H  H23  1  0.74  0.87  0.82  1.0
  H  H24  1  0.76  0.24  0.33  1.0
  H  H25  1  0.79  0.85  0.38  1.0
  H  H26  1  0.83  0.62  0.69  1.0
  H  H27  1  0.98  0.45  0.4  1.0
  H  H28  1  0.99  0.39  0.85  1.0
  C  C29  1  0.32  0.84  0.81  1.0
  C  C30  1  0.58  0.72  0.31  1.0
  C  C31  1  0.6  0.36  0.29  1.0
  C  C32  1  0.64  0.16  0.85  1.0
  C  C33  1  0.71  0.13  0.83  1.0
  C  C34  1  0.87  0.73  0.85  1.0
  C  C35  1  0.87  0.64  0.88  1.0
  C  C36  1  0.97  0.11  0.84  1.0
  S  S37  1  0.01  0.4  0.93  1.0
  S  S38  1  0.05  0.48  0.58  1.0
  S  S39  1  0.17  0.77  0.57  1.0
  S  S40  1  0.19  0.07  0.63  1.0
  S  S41  1  0.21  0.36  0.53  1.0
  S  S42  1  0.4  0.53  0.92  1.0
  S  S43  1  0.47  0.32  0.8  1.0
  S  S44  1  0.57  0.85  0.57  1.0
  S  S45  1  0.77  0.44  0.69  1.0
  S  S46  1  0.84  0.85  0.84  1.0
  N  N47  1  0.0  0.0  0.0  1.0
  N  N48  1  0.36  0.0  0.21  1.0

Mn 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 C C C C S S S S S S S S S S N N