data_[Cs4La4Ag4I20]
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 [C2/c]
_cell_length_a [10.5019]
_cell_length_b [14.0684]
_cell_length_c [11.9396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLaAgI5]
_chemical_formula_sum '[Cs4 La4 Ag4 I20]'
_cell_volume [1631.9830]
_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
[
  Cs  Cs0  4  0.0000  0.3543  0.7500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.3100  0.2500  1.0
  I  I3  8  0.1108  0.2048  0.1035  1.0
  I  I4  8  0.1942  0.4287  0.4360  1.0
  I  I5  4  0.0000  0.0781  0.7500  1.0
]