data_[Tl8Cd4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  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 [4.5432]
_cell_length_b [21.8390]
_cell_length_c [14.5409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CdAgI5]
_chemical_formula_sum '[Tl8 Cd4 Ag4 I20]'
_cell_volume [1442.7481]
_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  0.1236  0.3136  1.0
  Tl  Tl1  4  0.0000  0.1373  0.6845  1.0
  Cd  Cd2  4  0.0000  0.4312  0.4343  1.0
  Ag  Ag3  4  0.0000  0.2287  0.0357  1.0
  I  I4  4  0.0000  0.0390  0.0450  1.0
  I  I5  4  0.0000  0.2965  0.6613  1.0
  I  I6  4  0.0000  0.3073  0.3788  1.0
  I  I7  4  0.0000  0.3577  0.0017  1.0
  I  I8  4  0.0000  0.4976  0.2692  1.0
]