data_Ge2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   14.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2S
_chemical_formula_sum   'Ge16 S8'
_cell_volume   542.13
_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  Ge0  1  0.0  0.76  0.09  1.0
  Ge  Ge1  1  0.25  0.88  0.69  1.0
  Ge  Ge2  1  0.25  0.88  0.7  1.0
  Ge  Ge3  1  0.0  0.76  0.07  1.0
  Ge  Ge4  1  0.63  0.82  0.39  1.0
  Ge  Ge5  1  0.25  0.0  0.39  1.0
  Ge  Ge6  1  0.37  0.82  0.39  1.0
  Ge  Ge7  1  0.63  0.82  0.0  1.0
  Ge  Ge8  1  0.25  0.0  0.0  1.0
  Ge  Ge9  1  0.37  0.82  0.0  1.0
  Ge  Ge10  1  0.26  0.76  0.08  1.0
  Ge  Ge11  1  0.0  0.75  0.08  1.0
  Ge  Ge12  1  0.74  0.76  0.08  1.0
  Ge  Ge13  1  0.99  0.88  0.69  1.0
  Ge  Ge14  1  0.25  0.89  0.69  1.0
  Ge  Ge15  1  0.52  0.88  0.69  1.0
  S  S16  1  0.0  0.0  0.34  1.0
  S  S17  1  0.0  0.0  0.43  1.0
  S  S18  1  0.0  0.0  0.95  1.0
  S  S19  1  0.0  0.0  0.82  1.0
  S  S20  1  0.0  0.76  0.57  1.0
  S  S21  1  0.25  0.88  0.2  1.0
  S  S22  1  0.25  0.88  0.96  1.0
  S  S23  1  0.0  0.76  0.81  1.0

data_Ge2S
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   14.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2S
_chemical_formula_sum   'Ge16 S8'
_cell_volume   542.13
_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  Ge0  1  0.0  0.75  0.08  1.0
  Ge  Ge1  1  0.0  0.76  0.07  1.0
  Ge  Ge2  1  0.0  0.76  0.09  1.0
  Ge  Ge3  1  0.25  0.0  0.0  1.0
  Ge  Ge4  1  0.25  0.0  0.39  1.0
  Ge  Ge5  1  0.25  0.88  0.69  1.0
  Ge  Ge6  1  0.25  0.88  0.7  1.0
  Ge  Ge7  1  0.25  0.89  0.69  1.0
  Ge  Ge8  1  0.26  0.76  0.08  1.0
  Ge  Ge9  1  0.37  0.82  0.0  1.0
  Ge  Ge10  1  0.37  0.82  0.39  1.0
  Ge  Ge11  1  0.52  0.88  0.69  1.0
  Ge  Ge12  1  0.63  0.82  -0.0  1.0
  Ge  Ge13  1  0.63  0.82  0.39  1.0
  Ge  Ge14  1  0.74  0.76  0.08  1.0
  Ge  Ge15  1  0.99  0.88  0.69  1.0
  S  S16  1  0.0  0.0  0.34  1.0
  S  S17  1  0.0  0.0  0.43  1.0
  S  S18  1  0.0  0.0  0.82  1.0
  S  S19  1  0.0  0.0  0.95  1.0
  S  S20  1  0.0  0.76  0.57  1.0
  S  S21  1  0.0  0.76  0.81  1.0
  S  S22  1  0.25  0.88  0.2  1.0
  S  S23  1  0.25  0.88  0.96  1.0

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