data_Cs2SiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   10.04
_cell_angle_alpha   121.17
_cell_angle_beta   121.17
_cell_angle_gamma   55.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2SiS3
_chemical_formula_sum   'Cs4 Si2 S6'
_cell_volume   409.4
_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  0.99  0.0  0.92  1.0
  Cs  Cs1  1  0.08  0.0  0.53  1.0
  Cs  Cs2  1  0.94  0.0  0.62  1.0
  Cs  Cs3  1  0.03  0.0  0.23  1.0
  Si  Si10  1  0.48  0.0  0.42  1.0
  Si  Si11  1  0.55  0.0  0.73  1.0
  S  S4  1  0.23  0.0  0.09  1.0
  S  S5  1  0.54  0.0  0.79  1.0
  S  S6  1  0.94  0.38  0.0  1.0
  S  S7  1  0.94  0.62  0.0  1.0
  S  S8  1  0.48  0.0  0.36  1.0
  S  S9  1  0.79  0.0  0.06  1.0

data_Cs2SiS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.24
_cell_length_b   7.83
_cell_length_c   8.98
_cell_angle_alpha   72.97
_cell_angle_beta   66.25
_cell_angle_gamma   62.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2SiS3
_chemical_formula_sum   'Cs4 Si2 S6'
_cell_volume   409.4
_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  0.0  0.07  0.92  1.0
  Cs  Cs1  1  0.0  0.32  0.62  1.0
  Cs  Cs2  1  0.0  0.55  0.53  1.0
  Cs  Cs3  1  0.0  0.8  0.23  1.0
  Si  Si4  1  0.0  0.06  0.42  1.0
  Si  Si5  1  0.0  0.81  0.73  1.0
  S  S6  1  0.0  0.12  0.36  1.0
  S  S7  1  0.0  0.14  0.09  1.0
  S  S8  1  0.0  0.73  0.06  1.0
  S  S9  1  0.0  0.75  0.79  1.0
  S  S10  1  0.38  0.56  0.0  1.0
  S  S11  1  0.62  0.32  0.0  1.0

Cs Cs Cs Cs Si Si S S S S S S