data_[Rb4Fe4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6797]
_cell_length_b [5.6360]
_cell_length_c [12.2994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [RbFeSO]
_chemical_formula_sum '[Rb4 Fe4 S4 O4]'
_cell_volume [386.6994]
_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  2  0.2351  0.2215  0.5272  1
  Rb  Rb1  2  0.2957  0.2012  0.2283  1
  Fe  Fe2  2  0.0130  0.7035  0.0541  1
  Fe  Fe3  2  0.4977  0.6980  0.0051  1
  S  S4  2  0.0663  0.1627  0.7597  1
  S  S5  2  0.2344  0.7122  0.3720  1
  O  O6  2  0.2490  0.4483  0.0190  1
  O  O7  2  0.2704  0.9526  0.0254  1
]