data_[Cs2Sn2Sb2S6]
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
  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 [9.2839]
_cell_length_b [4.0061]
_cell_length_c [11.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSnSbS3]
_chemical_formula_sum '[Cs2 Sn2 Sb2 S6]'
_cell_volume [410.9092]
_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  0.3458  0.2500  0.2633  1.0
  Sn  Sn1  2  0.2561  0.7500  0.9362  1.0
  Sb  Sb2  2  0.0916  0.2500  0.6371  1.0
  S  S3  2  0.0222  0.7500  0.7877  1.0
  S  S4  2  0.1600  0.7500  0.4635  1.0
  S  S5  2  0.3756  0.2500  0.8299  1.0
]