data_[Cs4Ag4Ir4Se8S4]
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
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9205]
_cell_length_b [16.0907]
_cell_length_c [9.9768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsAgIrSe2S]
_chemical_formula_sum '[Cs4 Ag4 Ir4 Se8 S4]'
_cell_volume [629.3751]
_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  0.2447  0.7500  1
  Ag  Ag1  4  0.0000  0.4590  0.2500  1
  Ir  Ir2  4  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.0000  0.3980  0.0157  1
  S  S4  4  0.0000  0.0560  0.2500  1
]