data_[Cs2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8451]
_cell_length_b [7.7261]
_cell_length_c [7.8994]
_cell_angle_alpha [102.3089]
_cell_angle_beta [107.3168]
_cell_angle_gamma [113.3906]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSnS3]
_chemical_formula_sum '[Cs2 Sn2 S6]'
_cell_volume [338.8755]
_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  0.2283  0.8548  0.1812  1.0
  Sn  Sn1  2  0.2216  0.4263  0.5110  1.0
  S  S2  2  0.1724  0.1178  0.5934  1.0
  S  S3  2  0.2179  0.7190  0.7025  1.0
  S  S4  2  0.3399  0.4340  0.2489  1.0
]