data_[Rb1S4I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8487]
_cell_length_b [6.8398]
_cell_length_c [7.0102]
_cell_angle_alpha [67.1465]
_cell_angle_beta [69.8321]
_cell_angle_gamma [70.5199]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbS4I]
_chemical_formula_sum '[Rb1 S4 I1]'
_cell_volume [236.0305]
_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  0.0000  0.5000  0.0000  1
  S  S1  2  0.3946  0.8034  0.9968  1
  S  S2  2  0.4465  0.8207  0.2390  1
  I  I3  1  0.0000  0.0000  0.5000  1
]