data_[Cs8La4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.4849]
_cell_length_b [10.3652]
_cell_length_c [9.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs2LaI5]
_chemical_formula_sum '[Cs8 La4 I20]'
_cell_volume [1579.4716]
_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  8  0.1697  0.5092  0.4203  1
  La  La1  4  0.0058  0.7500  0.9283  1
  I  I2  8  0.0623  0.0466  0.8330  1
  I  I3  4  0.0125  0.7500  0.5963  1
  I  I4  4  0.1829  0.7500  0.0979  1
  I  I5  4  0.1965  0.2500  0.1396  1
]