data_[Tl8Ag4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7335]
_cell_length_b [20.6922]
_cell_length_c [15.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgPbI5]
_chemical_formula_sum '[Tl8 Ag4 Pb4 I20]'
_cell_volume [1484.9287]
_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
[
  Tl  Tl0  4  0.0000  0.0998  0.6744  1.0
  Tl  Tl1  4  0.0000  0.1256  0.3239  1.0
  Ag  Ag2  4  0.0000  0.4431  0.4353  1.0
  Pb  Pb3  4  0.0000  0.2066  0.0259  1.0
  I  I4  4  0.0000  0.0452  0.0395  1.0
  I  I5  4  0.0000  0.2848  0.6744  1.0
  I  I6  4  0.0000  0.3042  0.3752  1.0
  I  I7  4  0.0000  0.3606  0.0050  1.0
  I  I8  4  0.0000  0.4941  0.7703  1.0
]