data_[Cs3Sm3In6I18]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7467]
_cell_length_b [8.7467]
_cell_length_c [23.4620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsSm(InI3)2]
_chemical_formula_sum '[Cs3 Sm3 In6 I18]'
_cell_volume [1554.4767]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1887  1.0
  Sm  Sm1  3  0.0000  0.0000  0.6729  1.0
  In  In2  3  0.0000  0.0000  0.4825  1.0
  In  In3  3  0.0000  0.0000  0.9968  1.0
  I  I4  9  0.0073  0.3008  0.7439  1.0
  I  I5  9  0.0341  0.6185  0.2550  1.0
]