data_[Cs1La2Ag1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.5348]
_cell_length_b [9.4340]
_cell_length_c [9.5685]
_cell_angle_alpha [79.2550]
_cell_angle_beta [83.0762]
_cell_angle_gamma [65.8058]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLa2AgI8]
_chemical_formula_sum '[Cs1 La2 Ag1 I8]'
_cell_volume [689.5941]
_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  0.5000  1.0
  La  La1  2  0.0328  0.4710  0.7566  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1844  0.7551  0.1855  1.0
  I  I4  2  0.2170  0.2755  0.0472  1.0
  I  I5  2  0.2259  0.2922  0.4861  1.0
  I  I6  2  0.2911  0.6223  0.7117  1.0
]