data_[Cs4Sn4Se2S4]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0757]
_cell_length_b [4.0748]
_cell_length_c [10.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn2SeS2]
_chemical_formula_sum '[Cs4 Sn4 Se2 S4]'
_cell_volume [493.9213]
_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  4  0.0573  0.5000  0.3321  1.0
  Sn  Sn1  4  0.2263  0.0000  0.1207  1.0
  Se  Se2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.1978  0.0000  0.6810  1.0
]