data_[Cs2Ba2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [7.4468]
_cell_length_b [7.2018]
_cell_length_c [9.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaSbS4]
_chemical_formula_sum '[Cs2 Ba2 Sb2 S8]'
_cell_volume [501.3417]
_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
[
  Cs  Cs0  2  0.2717  0.7500  0.0637  1.0
  Ba  Ba1  2  0.2368  0.7500  0.5535  1.0
  Sb  Sb2  2  0.2129  0.2500  0.3167  1.0
  S  S3  4  0.0081  0.5077  0.2768  1.0
  S  S4  2  0.3905  0.2500  0.5590  1.0
  S  S5  2  0.4081  0.2500  0.1646  1.0
]