data_CsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   58.0
_cell_angle_beta   58.0
_cell_angle_gamma   58.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsS
_chemical_formula_sum   'Cs1 S1'
_cell_volume   86.3
_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
  Cs  Cs0  1  0.0  0.0  0.26  1.0
  S  S1  1  0.0  0.0  0.0  1.0

data_CsS
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.46
_cell_length_b   4.89
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   124.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CsS
_chemical_formula_sum   'Cs2 S2'
_cell_volume   172.61
_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
  Cs  Cs0  2  -0.0  0.0  0.26  1.0
  S  S1  2  0.0  0.0  0.0  1.0

Cs S
Cs S 0 1 o o o 