data_[Cs13S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.5054]
_cell_length_b [11.7596]
_cell_length_c [14.0512]
_cell_angle_alpha [111.6848]
_cell_angle_beta [97.2187]
_cell_angle_gamma [97.5328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs13S2]
_chemical_formula_sum '[Cs13 S2]'
_cell_volume [1420.8044]
_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
[
  Cs  Cs0  2  0.0907  0.4232  0.2961  1.0
  Cs  Cs1  2  0.1069  0.9110  0.6371  1.0
  Cs  Cs2  2  0.2377  0.4023  0.9076  1.0
  Cs  Cs3  2  0.2922  0.8749  0.2327  1.0
  Cs  Cs4  2  0.3736  0.2815  0.5125  1.0
  Cs  Cs5  2  0.4767  0.2184  0.1656  1.0
  Cs  Cs6  1  0.0000  0.0000  0.0000  1.0
  S  S7  2  0.1875  0.1485  0.2632  1.0
]