data_[Rb8Ac6Fe2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9336]
_cell_length_b [8.5609]
_cell_length_c [9.2093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb4Ac3FeS8]
_chemical_formula_sum '[Rb8 Ac6 Fe2 S16]'
_cell_volume [989.0267]
_cell_formula_units_Z [2]
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  4  0.2500  0.2500  0.0000  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Rb  Rb2  2  0.0000  0.5000  0.0000  1
  Ac  Ac3  4  0.2500  0.2500  0.5000  1
  Ac  Ac4  2  0.0000  0.5000  0.5000  1
  Fe  Fe5  2  0.0000  0.0000  0.5000  1
  S  S6  8  0.0115  0.2200  0.3135  1
  S  S7  4  0.2250  0.0000  0.7007  1
  S  S8  4  0.2361  0.5000  0.7100  1
]