data_[Cs8Tl4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  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 [5.0089]
_cell_length_b [22.7181]
_cell_length_c [15.4402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlAgI5]
_chemical_formula_sum '[Cs8 Tl4 Ag4 I20]'
_cell_volume [1756.9842]
_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  0.1159  0.6998  1.0
  Cs  Cs1  4  0.0000  0.1255  0.3176  1.0
  Tl  Tl2  4  0.0000  0.2101  0.0246  1.0
  Ag  Ag3  4  0.0000  0.4310  0.4290  1.0
  I  I4  4  0.0000  0.0654  0.0234  1.0
  I  I5  4  0.0000  0.2877  0.6641  1.0
  I  I6  4  0.0000  0.3039  0.3775  1.0
  I  I7  4  0.0000  0.3495  0.0096  1.0
  I  I8  4  0.0000  0.4997  0.7783  1.0
]