data_[Rb4Sm4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6802]
_cell_length_b [15.5337]
_cell_length_c [7.6323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbSmI4]
_chemical_formula_sum '[Rb4 Sm4 I16]'
_cell_volume [1097.1418]
_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
[
  Rb  Rb0  4  0.0000  0.3649  0.7500  1.0
  Sm  Sm1  4  0.0000  0.0002  0.7500  1.0
  I  I2  8  0.1051  0.1582  0.0735  1.0
  I  I3  8  0.2333  0.4360  0.3133  1.0
]