data_RbTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   26.73
_cell_angle_beta   26.73
_cell_angle_gamma   26.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTiS2
_chemical_formula_sum   'Rb1 Ti1 S2'
_cell_volume   89.07
_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
  Rb  Rb0  1  0.0  0.0  0.17  1.0
  Ti  Ti3  1  0.0  0.0  0.3  1.0
  S  S1  1  0.0  0.0  0.32  1.0
  S  S2  1  0.0  0.0  0.23  1.0

data_RbTiS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   3.67
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RbTiS2
_chemical_formula_sum   'Rb2 Ti2 S4'
_cell_volume   178.15
_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
  Rb  Rb0  2  0.0  0.0  0.83  1.0
  Ti  Ti1  2  0.0  0.0  0.7  1.0
  S  S2  2  0.0  0.0  0.68  1.0
  S  S3  2  0.0  0.0  0.77  1.0

Rb Ti S S