data_[Cs12Ag4I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.0344]
_cell_length_b [5.2075]
_cell_length_c [10.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6Ag2ICl3]
_chemical_formula_sum '[Cs12 Ag4 I2 Cl6]'
_cell_volume [1232.3210]
_cell_formula_units_Z [2]
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  0.0044  0.0000  0.7340  1.0
  Cs  Cs1  4  0.1612  0.5000  0.5983  1.0
  Cs  Cs2  4  0.1730  0.5000  0.0727  1.0
  Ag  Ag3  4  0.1679  0.0000  0.3366  1.0
  I  I4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1662  0.0000  0.8343  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]