data_[Cs2Se4S5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9975]
_cell_length_b [6.9522]
_cell_length_c [10.9381]
_cell_angle_alpha [88.4420]
_cell_angle_beta [87.6236]
_cell_angle_gamma [75.8568]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs2Se4S5]
_chemical_formula_sum '[Cs2 Se4 S5]'
_cell_volume [441.8074]
_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  1  0.3693  0.7299  0.8536  1
  Cs  Cs1  1  0.7269  0.2728  0.1444  1
  Se  Se2  1  0.1198  0.5857  0.2888  1
  Se  Se3  1  0.2690  0.8257  0.3945  1
  Se  Se4  1  0.7788  0.1262  0.5860  1
  Se  Se5  1  0.9345  0.4004  0.6378  1
  S  S6  1  0.0743  0.8618  0.5742  1
  S  S7  1  0.2381  0.2467  0.9160  1
  S  S8  1  0.5950  0.8132  0.1422  1
  S  S9  1  0.9436  0.7211  0.1213  1
  S  S10  1  0.9507  0.4164  0.8413  1
]