data_[Rb2Sm2Fe4I16]
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
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3012]
_cell_length_b [8.4980]
_cell_length_c [10.8049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSm(FeI4)2]
_chemical_formula_sum '[Rb2 Sm2 Fe4 I16]'
_cell_volume [1124.2778]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1213  0.5000  0.7842  1
  I  I3  8  0.0144  0.2536  0.2099  1
  I  I4  4  0.2000  0.5000  0.5744  1
  I  I5  4  0.2488  0.5000  0.9941  1
]