data_CsCeSiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.1
_cell_length_b   6.76
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCeSiS4
_chemical_formula_sum   'Cs4 Ce4 Si4 S16'
_cell_volume   799.87
_cell_formula_units_Z   4
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  Cs4  1  0.96  0.69  0.02  1.0
  Cs  Cs5  1  0.9  0.69  0.25  1.0
  Cs  Cs6  1  0.2  0.07  0.28  1.0
  Cs  Cs7  1  0.15  0.07  0.51  1.0
  Ce  Ce0  1  0.4  0.07  0.35  1.0
  Ce  Ce1  1  0.45  0.07  0.91  1.0
  Ce  Ce2  1  0.65  0.69  0.62  1.0
  Ce  Ce3  1  0.71  0.69  0.18  1.0
  Si  Si24  1  0.47  0.69  0.39  1.0
  Si  Si25  1  0.53  0.69  0.87  1.0
  Si  Si26  1  0.58  0.07  0.66  1.0
  Si  Si27  1  0.63  0.07  0.14  1.0
  S  S8  1  0.88  0.07  0.31  1.0
  S  S9  1  0.2  0.0  0.59  1.0
  S  S10  1  0.2  0.38  0.59  1.0
  S  S11  1  0.55  0.69  0.86  1.0
  S  S12  1  0.5  0.69  0.4  1.0
  S  S13  1  0.15  0.0  0.67  1.0
  S  S14  1  0.15  0.38  0.67  1.0
  S  S15  1  0.83  0.07  0.96  1.0
  S  S16  1  0.27  0.69  0.57  1.0
  S  S17  1  0.95  0.39  0.86  1.0
  S  S18  1  0.95  0.76  0.86  1.0
  S  S19  1  0.61  0.07  0.13  1.0
  S  S20  1  0.55  0.07  0.67  1.0
  S  S21  1  0.9  0.39  0.94  1.0
  S  S22  1  0.9  0.76  0.94  1.0
  S  S23  1  0.22  0.69  0.22  1.0

data_CsCeSiS4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.53
_cell_length_b   6.76
_cell_length_c   18.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsCeSiS4
_chemical_formula_sum   'Cs4 Ce4 Si4 S16'
_cell_volume   799.87
_cell_formula_units_Z   4
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  0.25  0.81  0.4  1.0
  Cs  Cs1  2  0.48  0.81  0.35  1.0
  Ce  Ce2  2  0.15  0.19  0.9  1.0
  Ce  Ce3  2  0.41  0.81  0.15  1.0
  Si  Si4  2  0.11  0.81  0.97  1.0
  Si  Si5  2  0.37  0.19  0.08  1.0
  S  S6  2  0.09  0.5  0.4  1.0
  S  S7  2  0.09  0.88  0.4  1.0
  S  S8  2  0.1  0.81  1.0  1.0
  S  S9  2  0.17  0.5  0.35  1.0
  S  S10  2  0.17  0.88  0.35  1.0
  S  S11  2  0.19  0.19  0.28  1.0
  S  S12  2  0.36  0.19  0.05  1.0
  S  S13  2  0.46  0.81  0.67  1.0

Cs Cs Cs Cs Ce Ce Ce Ce Si Si Si Si S S S S S S S S S S S S S S S S