data_[Cs10Sm4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3653]
_cell_length_b [8.9989]
_cell_length_c [12.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5(SmI6)2]
_chemical_formula_sum '[Cs10 Sm4 I24]'
_cell_volume [2300.8525]
_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  4  0.1915  0.5000  0.8430  1
  Cs  Cs1  4  0.2042  0.5000  0.3557  1
  Cs  Cs2  2  0.0000  0.0000  0.5000  1
  Sm  Sm3  4  0.0000  0.2494  0.0000  1
  I  I4  8  0.1459  0.2758  0.5709  1
  I  I5  8  0.1500  0.2532  0.0733  1
  I  I6  4  0.0029  0.0000  0.1742  1
  I  I7  4  0.0034  0.5000  0.1764  1
]