data_[Rb16S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9547]
_cell_length_b [7.6449]
_cell_length_c [7.1601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb4SO]
_chemical_formula_sum '[Rb16 S4 O4]'
_cell_volume [802.6110]
_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
[
  Rb  Rb0  8  0.1159  0.2866  0.5450  1.0
  Rb  Rb1  4  0.0000  0.2384  0.0000  1.0
  Rb  Rb2  4  0.1920  0.5000  0.1126  1.0
  S  S3  4  0.1911  0.0000  0.2404  1.0
  O  O4  4  0.0251  0.5000  0.2664  1.0
]