data_[Rb4Sm2Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4168]
_cell_length_b [8.7736]
_cell_length_c [14.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2SmAgI6]
_chemical_formula_sum '[Rb4 Sm2 Ag2 I12]'
_cell_volume [870.1972]
_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  4  0.2745  0.5756  0.7512  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1673  0.5125  0.2551  1.0
  I  I4  4  0.2368  0.2057  0.0420  1.0
  I  I5  4  0.3422  0.6977  0.0445  1.0
]