data_Cs2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   9.96
_cell_angle_alpha   118.61
_cell_angle_beta   118.61
_cell_angle_gamma   53.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2GeS4
_chemical_formula_sum   'Cs4 Ge2 S8'
_cell_volume   467.57
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.18  0.0  0.16  1.0
  Cs  Cs1  1  0.67  0.0  0.98  1.0
  Cs  Cs2  1  0.89  0.0  0.43  1.0
  Cs  Cs3  1  0.39  0.0  0.25  1.0
  Ge  Ge4  1  0.58  0.0  0.92  1.0
  Ge  Ge5  1  0.98  0.0  0.49  1.0
  S  S6  1  0.1  0.0  0.5  1.0
  S  S7  1  0.74  0.0  0.19  1.0
  S  S8  1  0.79  0.92  0.47  1.0
  S  S9  1  0.79  0.08  0.47  1.0
  S  S10  1  0.78  0.92  0.94  1.0
  S  S11  1  0.78  0.08  0.94  1.0
  S  S12  1  0.83  0.0  0.22  1.0
  S  S13  1  0.46  0.0  0.91  1.0

data_Cs2GeS4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.46
_cell_length_b   8.33
_cell_length_c   9.44
_cell_angle_alpha   67.84
_cell_angle_beta   66.71
_cell_angle_gamma   63.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs2GeS4
_chemical_formula_sum   'Cs4 Ge2 S8'
_cell_volume   467.57
_cell_formula_units_Z   2
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
  Cs  Cs0  2  0.0  0.06  0.04  1.0
  Cs  Cs1  2  0.0  0.39  0.22  1.0
  Ge  Ge2  2  0.0  0.41  0.29  1.0
  S  S3  2  0.0  0.47  0.71  1.0
  S  S4  2  0.0  0.47  0.98  1.0
  S  S5  2  0.08  0.16  0.27  1.0
  S  S6  2  0.08  0.68  0.73  1.0

Cs Cs Cs Cs Ge Ge S S S S S S S S