data_[Cs4Ag4Sn4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  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 [Cmcm]
_cell_length_a [3.9450]
_cell_length_b [16.0555]
_cell_length_c [10.8728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsAgSnSeS2]
_chemical_formula_sum '[Cs4 Ag4 Sn4 Se4 S8]'
_cell_volume [688.6744]
_cell_formula_units_Z [4]
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  0.0000  0.2414  0.2500  1
  Ag  Ag1  4  0.0000  0.0631  0.7500  1
  Sn  Sn2  4  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.0000  0.4460  0.7500  1
  S  S4  8  0.0000  0.1103  0.5318  1
]