data_[Rb4Ba8Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.7663]
_cell_length_b [13.3498]
_cell_length_c [8.7855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbBa2SbS4]
_chemical_formula_sum '[Rb4 Ba8 Sb4 S16]'
_cell_volume [1107.4089]
_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  4  0.0101  0.4937  0.2657  1.0
  Ba  Ba1  4  0.0151  0.9959  0.2594  1.0
  Ba  Ba2  4  0.2490  0.7228  0.8036  1.0
  Sb  Sb3  4  0.2404  0.2343  0.6622  1.0
  S  S4  4  0.0455  0.2402  0.2779  1.0
  S  S5  4  0.0567  0.7529  0.3253  1.0
  S  S6  4  0.2306  0.0047  0.2135  1.0
  S  S7  4  0.2383  0.0551  0.7360  1.0
]