data_[Cs3Sm3In6Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9940]
_cell_length_b [7.9940]
_cell_length_c [20.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsSm(InCl3)2]
_chemical_formula_sum '[Cs3 Sm3 In6 Cl18]'
_cell_volume [1145.2916]
_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  0.1931  1
  Sm  Sm1  3  0.0000  0.0000  0.6779  1
  In  In2  3  0.0000  0.0000  0.4776  1
  In  In3  3  0.0000  0.0000  0.9868  1
  Cl  Cl4  9  0.0271  0.3028  0.7446  1
  Cl  Cl5  9  0.0277  0.7541  0.5907  1
]