data_Ge7S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   97.67
_cell_angle_beta   97.67
_cell_angle_gamma   137.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge7S5
_chemical_formula_sum   'Ge7 S5'
_cell_volume   271.5
_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
  Ge  Ge0  1  0.0  0.0  0.81  1.0
  Ge  Ge1  1  0.0  0.96  0.21  1.0
  Ge  Ge2  1  0.96  0.0  0.21  1.0
  Ge  Ge3  1  0.56  0.0  0.62  1.0
  Ge  Ge4  1  0.41  0.96  0.86  1.0
  Ge  Ge5  1  0.0  0.56  0.62  1.0
  Ge  Ge6  1  0.96  0.41  0.86  1.0
  S  S7  1  0.0  0.0  0.25  1.0
  S  S8  1  0.7  0.7  0.12  1.0
  S  S9  1  0.27  0.27  0.88  1.0
  S  S10  1  0.27  0.73  0.88  1.0
  S  S11  1  0.73  0.27  0.88  1.0

data_Ge7S5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   14.04
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   111.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge7S5
_chemical_formula_sum   'Ge14 S10'
_cell_volume   543.0
_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+1/2, y+1/2, z'
  4  '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
  Ge  Ge0  4  0.02  0.02  0.79  1.0
  Ge  Ge1  4  0.22  0.22  0.38  1.0
  Ge  Ge2  4  0.31  0.28  0.14  1.0
  Ge  Ge3  2  0.0  0.0  0.19  1.0
  S  S4  4  0.0  0.27  0.12  1.0
  S  S5  2  0.0  0.0  0.75  1.0
  S  S6  2  0.23  0.5  0.12  1.0
  S  S7  2  0.3  0.0  0.88  1.0

Ge Ge Ge Ge Ge Ge Ge S S S S S