data_[Cs2La4I16]
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 [Cmmm]
_cell_length_a [10.0489]
_cell_length_b [15.8943]
_cell_length_c [6.3375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs(LaI4)2]
_chemical_formula_sum '[Cs2 La4 I16]'
_cell_volume [1012.2301]
_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  2  0.0000  0.0000  0.5000  1.0
  La  La1  4  0.0000  0.3044  0.0000  1.0
  I  I2  8  0.1907  0.1344  0.0000  1.0
  I  I3  4  0.0000  0.2624  0.5000  1.0
  I  I4  4  0.0000  0.5000  0.2508  1.0
]