data_[Cd4In8Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  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 [4.5087]
_cell_length_b [21.6104]
_cell_length_c [14.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdIn2AgI5]
_chemical_formula_sum '[Cd4 In8 Ag4 I20]'
_cell_volume [1418.3249]
_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
[
  Cd  Cd0  4  0.0000  0.4343  0.4337  1.0
  In  In1  4  0.0000  0.1272  0.3143  1.0
  In  In2  4  0.0000  0.1381  0.6798  1.0
  Ag  Ag3  4  0.0000  0.2255  0.0296  1.0
  I  I4  4  0.0000  0.0382  0.0468  1.0
  I  I5  4  0.0000  0.2950  0.6629  1.0
  I  I6  4  0.0000  0.3080  0.3811  1.0
  I  I7  4  0.0000  0.3581  0.0049  1.0
  I  I8  4  0.0000  0.4967  0.7710  1.0
]