data_[Cs1Al2Ag1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.5019]
_cell_length_b [7.5019]
_cell_length_c [10.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsAl2AgI8]
_chemical_formula_sum '[Cs1 Al2 Ag1 I8]'
_cell_volume [528.5263]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Al  Al1  2  0.3333  0.6667  0.7444  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  I  I3  6  0.0109  0.3346  0.6716  1
  I  I4  2  0.3333  0.6667  0.9805  1
]