data_[Tl4Pb4I4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1892]
_cell_length_b [9.9336]
_cell_length_c [7.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPbIO5]
_chemical_formula_sum '[Tl4 Pb4 I4 O20]'
_cell_volume [558.8471]
_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  0.2500  0.2500  0.5000  1
  Pb  Pb1  4  0.0000  0.0508  0.7500  1
  I  I2  4  0.0000  0.4818  0.7500  1
  O  O3  8  0.0153  0.3576  0.5799  1
  O  O4  8  0.2211  0.0257  0.5893  1
  O  O5  4  0.0000  0.1811  0.2500  1
]