data_[Cs8Ba4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0770]
_cell_length_b [22.3227]
_cell_length_c [16.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2BaAgI5]
_chemical_formula_sum '[Cs8 Ba4 Ag4 I20]'
_cell_volume [1836.8313]
_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  0.1165  0.3443  1.0
  Cs  Cs1  4  0.0000  0.1175  0.6924  1.0
  Ba  Ba2  4  0.0000  0.1905  0.0295  1.0
  Ag  Ag3  4  0.0000  0.4429  0.4178  1.0
  I  I4  4  0.0000  0.0357  0.0039  1.0
  I  I5  4  0.0000  0.3017  0.6762  1.0
  I  I6  4  0.0000  0.3118  0.3789  1.0
  I  I7  4  0.0000  0.3434  0.0178  1.0
  I  I8  4  0.0000  0.4989  0.7632  1.0
]